{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 169,
   "id": "ccdac8db",
   "metadata": {},
   "outputs": [],
   "source": [
    "import matplotlib.pyplot as plt\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import sklearn\n",
    "import seaborn as sns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "89d498f6",
   "metadata": {},
   "outputs": [],
   "source": [
    "?pd.read_csv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 95,
   "id": "aaa5a4b3",
   "metadata": {},
   "outputs": [],
   "source": [
    "feature_train=pd.read_csv('Molecular_Descriptor.csv',index_col='SMILES')\n",
    "label_train=pd.read_csv('ERα_activity.csv',index_col='SMILES')\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 96,
   "id": "39b96bbf",
   "metadata": {},
   "outputs": [],
   "source": [
    "del label_train['IC50_nM']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "id": "239b91fc",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "<class 'pandas.core.frame.DataFrame'>\n",
      "Index: 1974 entries, Oc1ccc2O[C@H]([C@H](Sc2c1)C3CCCC3)c4ccc(OCCN5CCCCC5)cc4 to COc1cc(OC)cc(\\C=C\\c2ccc(OS(=O)(=O)[C@H]3C[C@H]4O[C@@H]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6)cc2)c1\n",
      "Columns: 729 entries, nAcid to Zagreb\n",
      "dtypes: float64(359), int64(370)\n",
      "memory usage: 11.0+ MB\n"
     ]
    }
   ],
   "source": [
    "feature_train.info()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "id": "0321d500",
   "metadata": {},
   "outputs": [],
   "source": [
    "?pd.concat"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "384b55ce",
   "metadata": {},
   "outputs": [],
   "source": [
    "#data=pd.concat((feature_train,label_train['pIC50']),axis=1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 97,
   "id": "011afc8c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "float64    360\n",
       "int64      145\n",
       "dtype: int64"
      ]
     },
     "execution_count": 97,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#data.dtypes.value_counts()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "db04ef2e",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "nAcid 的特征分布：\n",
      "0    1780\n",
      "1     177\n",
      "2      15\n",
      "3       1\n",
      "4       1\n",
      "Name: nAcid, dtype: int64\n",
      "ALogP 的特征分布：\n",
      "1.8579    9\n",
      "0.7296    8\n",
      "1.2029    6\n",
      "1.0069    6\n",
      "1.8338    6\n",
      "         ..\n",
      "1.1968    1\n",
      "0.9420    1\n",
      "1.4848    1\n",
      "0.0239    1\n",
      "2.8165    1\n",
      "Name: ALogP, Length: 1605, dtype: int64\n",
      "ALogp2 的特征分布：\n",
      "3.451792    9\n",
      "0.532316    8\n",
      "3.362822    6\n",
      "1.013848    6\n",
      "1.446968    6\n",
      "           ..\n",
      "7.570752    1\n",
      "1.432330    1\n",
      "0.887364    1\n",
      "2.204631    1\n",
      "7.932672    1\n",
      "Name: ALogp2, Length: 1590, dtype: int64\n",
      "AMR 的特征分布：\n",
      "148.8682    9\n",
      "139.9304    8\n",
      "141.6032    6\n",
      "88.3037     6\n",
      "88.4293     6\n",
      "           ..\n",
      "90.5701     1\n",
      "87.9712     1\n",
      "91.1016     1\n",
      "84.8648     1\n",
      "164.3947    1\n",
      "Name: AMR, Length: 1631, dtype: int64\n",
      "apol 的特征分布：\n",
      "77.158583    21\n",
      "74.064997    16\n",
      "40.760723    12\n",
      "79.112169    12\n",
      "80.076962    10\n",
      "             ..\n",
      "85.985583     1\n",
      "56.661860     1\n",
      "64.446239     1\n",
      "61.242860     1\n",
      "81.368618     1\n",
      "Name: apol, Length: 1316, dtype: int64\n",
      "naAromAtom 的特征分布：\n",
      "18    554\n",
      "12    374\n",
      "15    193\n",
      "21    187\n",
      "16    148\n",
      "6     111\n",
      "0      53\n",
      "9      50\n",
      "24     49\n",
      "11     43\n",
      "17     38\n",
      "22     29\n",
      "19     28\n",
      "27     22\n",
      "20     20\n",
      "23     19\n",
      "14     16\n",
      "10     16\n",
      "26      8\n",
      "5       8\n",
      "30      3\n",
      "13      2\n",
      "25      1\n",
      "29      1\n",
      "28      1\n",
      "Name: naAromAtom, dtype: int64\n",
      "nAromBond 的特征分布：\n",
      "18    651\n",
      "12    324\n",
      "17    197\n",
      "23    179\n",
      "6     111\n",
      "16     71\n",
      "10     64\n",
      "13     56\n",
      "0      53\n",
      "24     49\n",
      "22     46\n",
      "11     39\n",
      "29     24\n",
      "28     18\n",
      "15     17\n",
      "21     16\n",
      "25     15\n",
      "27     12\n",
      "19      9\n",
      "26      8\n",
      "5       8\n",
      "20      3\n",
      "33      2\n",
      "30      1\n",
      "34      1\n",
      "Name: nAromBond, dtype: int64\n",
      "nAtom 的特征分布：\n",
      "30     85\n",
      "65     71\n",
      "62     65\n",
      "31     60\n",
      "32     60\n",
      "       ..\n",
      "21      1\n",
      "80      1\n",
      "98      1\n",
      "74      1\n",
      "107     1\n",
      "Name: nAtom, Length: 87, dtype: int64\n",
      "nHeavyAtom 的特征分布：\n",
      "21     157\n",
      "20     147\n",
      "34     144\n",
      "22     132\n",
      "33     127\n",
      "35     110\n",
      "19     105\n",
      "32     103\n",
      "23      92\n",
      "31      75\n",
      "36      71\n",
      "30      70\n",
      "25      66\n",
      "24      66\n",
      "26      65\n",
      "18      59\n",
      "27      53\n",
      "29      51\n",
      "28      49\n",
      "37      44\n",
      "38      36\n",
      "39      22\n",
      "41      22\n",
      "40      20\n",
      "17      19\n",
      "43      12\n",
      "16      10\n",
      "42       8\n",
      "47       6\n",
      "15       6\n",
      "44       5\n",
      "46       5\n",
      "48       4\n",
      "77       3\n",
      "14       2\n",
      "45       2\n",
      "59       1\n",
      "163      1\n",
      "72       1\n",
      "81       1\n",
      "74       1\n",
      "57       1\n",
      "Name: nHeavyAtom, dtype: int64\n",
      "nH 的特征分布：\n",
      "14    106\n",
      "29     98\n",
      "31     95\n",
      "11     92\n",
      "33     87\n",
      "     ... \n",
      "48      1\n",
      "58      1\n",
      "46      1\n",
      "5       1\n",
      "65      1\n",
      "Name: nH, Length: 61, dtype: int64\n",
      "nB 的特征分布：\n",
      "0    1974\n",
      "Name: nB, dtype: int64\n",
      "nC 的特征分布：\n",
      "17    163\n",
      "16    156\n",
      "15    134\n",
      "28    122\n",
      "27    120\n",
      "29    116\n",
      "25     93\n",
      "30     93\n",
      "20     90\n",
      "26     90\n",
      "18     89\n",
      "21     80\n",
      "19     80\n",
      "14     76\n",
      "24     75\n",
      "23     68\n",
      "22     59\n",
      "31     56\n",
      "13     48\n",
      "32     48\n",
      "33     31\n",
      "34     18\n",
      "11     15\n",
      "36      8\n",
      "35      8\n",
      "12      7\n",
      "40      5\n",
      "41      4\n",
      "9       3\n",
      "47      3\n",
      "38      2\n",
      "37      2\n",
      "50      2\n",
      "39      2\n",
      "42      2\n",
      "95      1\n",
      "44      1\n",
      "7       1\n",
      "52      1\n",
      "48      1\n",
      "10      1\n",
      "Name: nC, dtype: int64\n",
      "nN 的特征分布：\n",
      "1     750\n",
      "0     492\n",
      "2     379\n",
      "3     170\n",
      "4     103\n",
      "5      47\n",
      "6      18\n",
      "7       6\n",
      "17      3\n",
      "8       2\n",
      "46      1\n",
      "16      1\n",
      "19      1\n",
      "15      1\n",
      "Name: nN, dtype: int64\n",
      "nO 的特征分布：\n",
      "3     583\n",
      "2     429\n",
      "4     425\n",
      "5     199\n",
      "1     153\n",
      "6      71\n",
      "0      50\n",
      "7      31\n",
      "8      20\n",
      "10      7\n",
      "9       5\n",
      "20      1\n",
      "Name: nO, dtype: int64\n",
      "nS 的特征分布：\n",
      "0    1446\n",
      "1     466\n",
      "2      48\n",
      "3      13\n",
      "6       1\n",
      "Name: nS, dtype: int64\n",
      "nP 的特征分布：\n",
      "0    1972\n",
      "1       2\n",
      "Name: nP, dtype: int64\n",
      "nF 的特征分布：\n",
      "0    1648\n",
      "1     201\n",
      "3      70\n",
      "2      41\n",
      "4       7\n",
      "5       4\n",
      "6       3\n",
      "Name: nF, dtype: int64\n",
      "nCl 的特征分布：\n",
      "0    1801\n",
      "1     152\n",
      "2      19\n",
      "6       1\n",
      "4       1\n",
      "Name: nCl, dtype: int64\n",
      "nBr 的特征分布：\n",
      "0    1859\n",
      "1     110\n",
      "2       4\n",
      "3       1\n",
      "Name: nBr, dtype: int64\n",
      "nI 的特征分布：\n",
      "0    1970\n",
      "1       2\n",
      "2       2\n",
      "Name: nI, dtype: int64\n",
      "nX 的特征分布：\n",
      "0    1397\n",
      "1     399\n",
      "2      80\n",
      "3      77\n",
      "4      13\n",
      "5       4\n",
      "6       4\n",
      "Name: nX, dtype: int64\n",
      "ATSc1 的特征分布：\n",
      "0.460906    7\n",
      "0.272104    7\n",
      "0.492640    6\n",
      "0.272577    5\n",
      "0.518524    4\n",
      "           ..\n",
      "0.357384    1\n",
      "0.514036    1\n",
      "0.430938    1\n",
      "0.430563    1\n",
      "0.645421    1\n",
      "Name: ATSc1, Length: 1813, dtype: int64\n",
      "ATSc2 的特征分布：\n",
      "-0.122407    7\n",
      "-0.179919    7\n",
      "-0.236081    6\n",
      "-0.126670    5\n",
      "-0.111155    4\n",
      "            ..\n",
      "-0.103842    1\n",
      "-0.104130    1\n",
      "-0.102762    1\n",
      "-0.102765    1\n",
      "-0.270925    1\n",
      "Name: ATSc2, Length: 1839, dtype: int64\n",
      "ATSc3 的特征分布：\n",
      "-0.078184    7\n",
      "-0.097719    7\n",
      "-0.081303    6\n",
      "-0.064649    5\n",
      "-0.026170    4\n",
      "            ..\n",
      " 0.011141    1\n",
      " 0.003074    1\n",
      "-0.012460    1\n",
      "-0.004029    1\n",
      " 0.051394    1\n",
      "Name: ATSc3, Length: 1850, dtype: int64\n",
      "ATSc4 的特征分布：\n",
      " 0.085037    7\n",
      " 0.104662    7\n",
      " 0.147899    6\n",
      " 0.087674    5\n",
      "-0.307202    4\n",
      "            ..\n",
      "-0.042339    1\n",
      "-0.046391    1\n",
      "-0.047475    1\n",
      "-0.045690    1\n",
      "-0.246079    1\n",
      "Name: ATSc4, Length: 1847, dtype: int64\n",
      "ATSc5 的特征分布：\n",
      "-0.042356    7\n",
      " 0.005061    7\n",
      "-0.102349    6\n",
      "-0.017671    5\n",
      " 0.010685    4\n",
      "            ..\n",
      " 0.010510    1\n",
      "-0.104793    1\n",
      "-0.089870    1\n",
      " 0.004201    1\n",
      " 0.185752    1\n",
      "Name: ATSc5, Length: 1840, dtype: int64\n",
      "ATSm1 的特征分布：\n",
      "43.585609    30\n",
      "42.585609    21\n",
      "24.548938    20\n",
      "38.457856    19\n",
      "37.457856    17\n",
      "             ..\n",
      "42.487832     1\n",
      "37.895170     1\n",
      "63.581498     1\n",
      "41.476593     1\n",
      "49.774567     1\n",
      "Name: ATSm1, Length: 999, dtype: int64\n",
      "ATSm2 的特征分布：\n",
      "43.830668    23\n",
      "42.830668    18\n",
      "26.664184    16\n",
      "41.491098    14\n",
      "24.664184    13\n",
      "             ..\n",
      "27.283863     1\n",
      "39.380103     1\n",
      "41.021256     1\n",
      "42.353348     1\n",
      "54.999443     1\n",
      "Name: ATSm2, Length: 1231, dtype: int64\n",
      "ATSm3 的特征分布：\n",
      "60.317739    11\n",
      "61.830698    10\n",
      "57.654099     9\n",
      "64.147833     9\n",
      "29.328368     9\n",
      "             ..\n",
      "37.229273     1\n",
      "37.897181     1\n",
      "32.993639     1\n",
      "46.411309     1\n",
      "75.649958     1\n",
      "Name: ATSm3, Length: 1428, dtype: int64\n",
      "ATSm4 的特征分布：\n",
      "63.036839    10\n",
      "59.325460     8\n",
      "67.277981     7\n",
      "49.992552     6\n",
      "38.599021     6\n",
      "             ..\n",
      "61.724585     1\n",
      "50.006847     1\n",
      "58.812174     1\n",
      "56.812174     1\n",
      "76.549012     1\n",
      "Name: ATSm4, Length: 1589, dtype: int64\n",
      "ATSm5 的特征分布：\n",
      "60.392427    11\n",
      "61.392427     7\n",
      "60.483378     7\n",
      "40.328368     7\n",
      "43.660460     6\n",
      "             ..\n",
      "40.084520     1\n",
      "45.748704     1\n",
      "38.637982     1\n",
      "35.752428     1\n",
      "85.083040     1\n",
      "Name: ATSm5, Length: 1665, dtype: int64\n",
      "ATSp1 的特征分布：\n",
      "2647.253026    6\n",
      "2683.174106    3\n",
      "1783.411971    3\n",
      "2105.520007    3\n",
      "2602.118459    3\n",
      "              ..\n",
      "1386.559775    1\n",
      "1289.086017    1\n",
      "1415.235856    1\n",
      "1417.240237    1\n",
      "3275.017812    1\n",
      "Name: ATSp1, Length: 1877, dtype: int64\n",
      "ATSp2 的特征分布：\n",
      "3160.122563    6\n",
      "3193.321199    3\n",
      "2187.100772    3\n",
      "2458.294213    3\n",
      "3139.390354    3\n",
      "              ..\n",
      "1686.056318    1\n",
      "1569.937308    1\n",
      "1730.552836    1\n",
      "1733.550929    1\n",
      "3971.981132    1\n",
      "Name: ATSp2, Length: 1877, dtype: int64\n",
      "ATSp3 的特征分布：\n",
      "4544.944307    6\n",
      "4539.951971    3\n",
      "3353.559838    3\n",
      "3390.026577    3\n",
      "4651.738227    3\n",
      "              ..\n",
      "2518.574188    1\n",
      "2355.264780    1\n",
      "2629.085868    1\n",
      "2634.363581    1\n",
      "5911.985670    1\n",
      "Name: ATSp3, Length: 1877, dtype: int64\n",
      "ATSp4 的特征分布：\n",
      "4787.181901    6\n",
      "4607.751468    3\n",
      "3471.836172    3\n",
      "3324.360189    3\n",
      "5242.743916    3\n",
      "              ..\n",
      "2755.027982    1\n",
      "2520.592551    1\n",
      "2897.339870    1\n",
      "2904.102788    1\n",
      "5772.028702    1\n",
      "Name: ATSp4, Length: 1877, dtype: int64\n",
      "ATSp5 的特征分布：\n",
      "4530.534612    6\n",
      "4081.796222    3\n",
      "2885.860660    3\n",
      "3049.950290    3\n",
      "4935.375684    3\n",
      "              ..\n",
      "2312.502820    1\n",
      "2029.669690    1\n",
      "2372.985320    1\n",
      "2381.064216    1\n",
      "5804.010590    1\n",
      "Name: ATSp5, Length: 1877, dtype: int64\n",
      "nBase 的特征分布：\n",
      "0     1307\n",
      "1      587\n",
      "2       66\n",
      "3        6\n",
      "7        5\n",
      "4        1\n",
      "26       1\n",
      "5        1\n",
      "Name: nBase, dtype: int64\n",
      "BCUTw-1l 的特征分布：\n",
      "11.850000    737\n",
      "11.890000    626\n",
      "11.900000    151\n",
      "11.998834     19\n",
      "11.998521     12\n",
      "            ... \n",
      "11.993300      1\n",
      "11.994323      1\n",
      "11.994298      1\n",
      "11.994305      1\n",
      "11.994273      1\n",
      "Name: BCUTw-1l, Length: 238, dtype: int64\n",
      "BCUTw-1h 的特征分布：\n",
      "31.972073    31\n",
      "31.972073    23\n",
      "15.995925    21\n",
      "15.996928    16\n",
      "15.998956    14\n",
      "             ..\n",
      "15.995928     1\n",
      "34.969380     1\n",
      "16.000021     1\n",
      "15.999952     1\n",
      "31.972073     1\n",
      "Name: BCUTw-1h, Length: 911, dtype: int64\n",
      "BCUTc-1l 的特征分布：\n",
      "-0.361308    29\n",
      "-0.361379    19\n",
      "-0.361377    19\n",
      "-0.361388    17\n",
      "-0.361379    17\n",
      "             ..\n",
      "-0.360087     1\n",
      "-0.360101     1\n",
      "-0.360171     1\n",
      "-0.360109     1\n",
      "-0.364009     1\n",
      "Name: BCUTc-1l, Length: 1693, dtype: int64\n",
      "BCUTc-1h 的特征分布：\n",
      "0.116046    6\n",
      "0.116987    3\n",
      "0.176483    3\n",
      "0.283424    3\n",
      "0.204852    3\n",
      "           ..\n",
      "0.299305    1\n",
      "0.299314    1\n",
      "0.301097    1\n",
      "0.299368    1\n",
      "0.278503    1\n",
      "Name: BCUTc-1h, Length: 1874, dtype: int64\n",
      "BCUTp-1l 的特征分布：\n",
      "5.134125    6\n",
      "4.910156    3\n",
      "5.132720    3\n",
      "4.762338    3\n",
      "3.927290    3\n",
      "           ..\n",
      "4.960112    1\n",
      "5.078003    1\n",
      "5.117298    1\n",
      "4.715284    1\n",
      "4.877567    1\n",
      "Name: BCUTp-1l, Length: 1876, dtype: int64\n",
      "BCUTp-1h 的特征分布：\n",
      "12.362931    6\n",
      "13.393973    3\n",
      "13.912662    3\n",
      "13.572554    3\n",
      "13.773754    3\n",
      "            ..\n",
      "11.269852    1\n",
      "10.955478    1\n",
      "11.032865    1\n",
      "11.269853    1\n",
      "12.729192    1\n",
      "Name: BCUTp-1h, Length: 1875, dtype: int64\n",
      "nBonds 的特征分布：\n",
      "22     134\n",
      "23     130\n",
      "38     126\n",
      "37     117\n",
      "24     113\n",
      "21     106\n",
      "39     100\n",
      "25      95\n",
      "36      77\n",
      "26      76\n",
      "35      70\n",
      "33      67\n",
      "29      65\n",
      "34      64\n",
      "20      61\n",
      "40      59\n",
      "28      56\n",
      "30      54\n",
      "27      52\n",
      "41      51\n",
      "32      48\n",
      "31      43\n",
      "42      33\n",
      "43      30\n",
      "45      21\n",
      "19      21\n",
      "44      17\n",
      "46      17\n",
      "16      11\n",
      "47      10\n",
      "18      10\n",
      "48       7\n",
      "50       6\n",
      "52       4\n",
      "15       3\n",
      "77       3\n",
      "51       3\n",
      "54       2\n",
      "14       2\n",
      "49       2\n",
      "64       1\n",
      "17       1\n",
      "163      1\n",
      "53       1\n",
      "71       1\n",
      "81       1\n",
      "74       1\n",
      "61       1\n",
      "Name: nBonds, dtype: int64\n",
      "nBonds2 的特征分布：\n",
      "32     89\n",
      "66     60\n",
      "69     59\n",
      "71     58\n",
      "35     57\n",
      "       ..\n",
      "103     1\n",
      "343     1\n",
      "24      1\n",
      "25      1\n",
      "89      1\n",
      "Name: nBonds2, Length: 88, dtype: int64\n",
      "nBondsS 的特征分布：\n",
      "24     109\n",
      "57      64\n",
      "60      57\n",
      "62      56\n",
      "55      56\n",
      "      ... \n",
      "81       1\n",
      "113      1\n",
      "93       1\n",
      "91       1\n",
      "102      1\n",
      "Name: nBondsS, Length: 83, dtype: int64\n",
      "nBondsS2 的特征分布：\n",
      "14     87\n",
      "53     60\n",
      "48     59\n",
      "50     58\n",
      "46     58\n",
      "       ..\n",
      "10      1\n",
      "154     1\n",
      "159     1\n",
      "315     1\n",
      "96      1\n",
      "Name: nBondsS2, Length: 84, dtype: int64\n",
      "nBondsS3 的特征分布：\n",
      "20     124\n",
      "18     113\n",
      "14     112\n",
      "9      110\n",
      "8      107\n",
      "13     103\n",
      "10      92\n",
      "17      87\n",
      "7       87\n",
      "12      86\n",
      "15      85\n",
      "19      85\n",
      "5       85\n",
      "16      83\n",
      "4       82\n",
      "11      77\n",
      "3       74\n",
      "21      69\n",
      "22      61\n",
      "6       52\n",
      "23      39\n",
      "24      39\n",
      "2       38\n",
      "1       18\n",
      "25      16\n",
      "27       7\n",
      "26       6\n",
      "34       4\n",
      "30       4\n",
      "64       3\n",
      "31       3\n",
      "33       3\n",
      "36       3\n",
      "35       3\n",
      "32       2\n",
      "28       2\n",
      "0        2\n",
      "37       2\n",
      "29       1\n",
      "42       1\n",
      "135      1\n",
      "60       1\n",
      "65       1\n",
      "63       1\n",
      "Name: nBondsS3, dtype: int64\n",
      "nBondsD 的特征分布：\n",
      "9     338\n",
      "8     337\n",
      "10    325\n",
      "7     218\n",
      "11    205\n",
      "6     155\n",
      "12    111\n",
      "13     63\n",
      "5      53\n",
      "4      31\n",
      "16     30\n",
      "3      28\n",
      "14     25\n",
      "2      24\n",
      "15     17\n",
      "1      11\n",
      "0       1\n",
      "28      1\n",
      "18      1\n",
      "Name: nBondsD, dtype: int64\n",
      "nBondsD2 的特征分布：\n",
      "0     632\n",
      "2     534\n",
      "1     524\n",
      "3     147\n",
      "4      92\n",
      "5      26\n",
      "6       8\n",
      "7       2\n",
      "8       2\n",
      "13      2\n",
      "11      2\n",
      "12      2\n",
      "28      1\n",
      "Name: nBondsD2, dtype: int64\n",
      "nBondsT 的特征分布：\n",
      "0    1872\n",
      "1      97\n",
      "2       5\n",
      "Name: nBondsT, dtype: int64\n",
      "nBondsQ 的特征分布：\n",
      "0    1974\n",
      "Name: nBondsQ, dtype: int64\n",
      "nBondsM 的特征分布：\n",
      "18    346\n",
      "19    248\n",
      "14    196\n",
      "20    135\n",
      "12    130\n",
      "17    127\n",
      "23     91\n",
      "13     82\n",
      "25     79\n",
      "24     76\n",
      "22     69\n",
      "15     53\n",
      "21     52\n",
      "8      49\n",
      "28     42\n",
      "7      32\n",
      "2      21\n",
      "16     21\n",
      "6      18\n",
      "27     15\n",
      "31     14\n",
      "9      11\n",
      "3       9\n",
      "1       9\n",
      "30      9\n",
      "26      8\n",
      "11      7\n",
      "29      7\n",
      "10      4\n",
      "5       3\n",
      "32      3\n",
      "4       3\n",
      "34      3\n",
      "0       1\n",
      "33      1\n",
      "Name: nBondsM, dtype: int64\n",
      "bpol 的特征分布：\n",
      "39.795003    27\n",
      "41.981417    27\n",
      "41.887831    26\n",
      "18.178898    21\n",
      "32.796210    14\n",
      "             ..\n",
      "25.374898     1\n",
      "31.074933     1\n",
      "28.833347     1\n",
      "36.478175     1\n",
      "25.084105     1\n",
      "Name: bpol, Length: 1055, dtype: int64\n",
      "C1SP1 的特征分布：\n",
      "0    1878\n",
      "1      91\n",
      "2       5\n",
      "Name: C1SP1, dtype: int64\n",
      "C2SP1 的特征分布：\n",
      "0    1951\n",
      "1      17\n",
      "2       6\n",
      "Name: C2SP1, dtype: int64\n",
      "C1SP2 的特征分布：\n",
      "0     961\n",
      "1     605\n",
      "2     245\n",
      "3      78\n",
      "4      52\n",
      "5      17\n",
      "6       7\n",
      "10      4\n",
      "7       1\n",
      "8       1\n",
      "20      1\n",
      "9       1\n",
      "11      1\n",
      "Name: C1SP2, dtype: int64\n",
      "C2SP2 的特征分布：\n",
      "15    295\n",
      "16    272\n",
      "11    236\n",
      "10    179\n",
      "12    138\n",
      "13     93\n",
      "17     92\n",
      "9      87\n",
      "5      84\n",
      "8      72\n",
      "7      70\n",
      "14     68\n",
      "6      53\n",
      "18     49\n",
      "4      42\n",
      "22     31\n",
      "2      27\n",
      "3      20\n",
      "19     19\n",
      "1      16\n",
      "21     12\n",
      "20      8\n",
      "0       8\n",
      "23      2\n",
      "24      1\n",
      "Name: C2SP2, dtype: int64\n",
      "C3SP2 的特征分布：\n",
      "2     428\n",
      "4     416\n",
      "5     347\n",
      "3     341\n",
      "1     223\n",
      "6     108\n",
      "0      81\n",
      "7      25\n",
      "8       4\n",
      "12      1\n",
      "Name: C3SP2, dtype: int64\n",
      "C1SP3 的特征分布：\n",
      "0     435\n",
      "1     352\n",
      "2     300\n",
      "4     269\n",
      "5     212\n",
      "3     178\n",
      "6     159\n",
      "7      33\n",
      "8      27\n",
      "12      3\n",
      "11      2\n",
      "9       1\n",
      "22      1\n",
      "14      1\n",
      "13      1\n",
      "Name: C1SP3, dtype: int64\n",
      "C2SP3 的特征分布：\n",
      "0     676\n",
      "2     217\n",
      "3     215\n",
      "1     213\n",
      "4     210\n",
      "5     141\n",
      "6     101\n",
      "7      52\n",
      "10     44\n",
      "8      34\n",
      "9      24\n",
      "11     14\n",
      "18      6\n",
      "12      5\n",
      "13      5\n",
      "17      3\n",
      "14      3\n",
      "21      3\n",
      "16      3\n",
      "15      2\n",
      "41      1\n",
      "19      1\n",
      "20      1\n",
      "Name: C2SP3, dtype: int64\n",
      "C3SP3 的特征分布：\n",
      "0    1508\n",
      "1     243\n",
      "2      95\n",
      "3      64\n",
      "4      46\n",
      "5      17\n",
      "7       1\n",
      "Name: C3SP3, dtype: int64\n",
      "C4SP3 的特征分布：\n",
      "0    1704\n",
      "1     223\n",
      "2      47\n",
      "Name: C4SP3, dtype: int64\n",
      "SCH-3 的特征分布：\n",
      "0.000000    1961\n",
      "0.288675       9\n",
      "0.235702       4\n",
      "Name: SCH-3, dtype: int64\n",
      "SCH-4 的特征分布：\n",
      "0.000000    1943\n",
      "0.204124      12\n",
      "0.111111       7\n",
      "0.166667       5\n",
      "0.302749       3\n",
      "0.333333       1\n",
      "0.321114       1\n",
      "0.096225       1\n",
      "0.136083       1\n",
      "Name: SCH-4, dtype: int64\n",
      "SCH-5 的特征分布：\n",
      "0.000000    842\n",
      "0.078567    186\n",
      "0.096225    174\n",
      "0.144338    115\n",
      "0.064150    104\n",
      "           ... \n",
      "0.170103      1\n",
      "0.556186      1\n",
      "0.331927      1\n",
      "0.138889      1\n",
      "0.271018      1\n",
      "Name: SCH-5, Length: 71, dtype: int64\n",
      "SCH-6 的特征分布：\n",
      "0.268729    48\n",
      "0.280069    44\n",
      "0.206930    43\n",
      "0.392326    39\n",
      "0.264777    33\n",
      "            ..\n",
      "0.442729     1\n",
      "0.253934     1\n",
      "0.469416     1\n",
      "0.174055     1\n",
      "0.748285     1\n",
      "Name: SCH-6, Length: 484, dtype: int64\n",
      "SCH-7 的特征分布：\n",
      "0.297410    32\n",
      "0.617637    21\n",
      "0.943023    21\n",
      "0.611914    16\n",
      "0.472905    15\n",
      "            ..\n",
      "0.600296     1\n",
      "0.908037     1\n",
      "0.273705     1\n",
      "0.480836     1\n",
      "1.328220     1\n",
      "Name: SCH-7, Length: 997, dtype: int64\n",
      "VCH-3 的特征分布：\n",
      "0.000000    1961\n",
      "0.288675       9\n",
      "0.235702       4\n",
      "Name: VCH-3, dtype: int64\n",
      "VCH-4 的特征分布：\n",
      "0.000000    1943\n",
      "0.074536       7\n",
      "0.204124       6\n",
      "0.158114       5\n",
      "0.144338       4\n",
      "0.272076       2\n",
      "0.284518       1\n",
      "0.333333       1\n",
      "0.166667       1\n",
      "0.288580       1\n",
      "0.064550       1\n",
      "0.091287       1\n",
      "0.129099       1\n",
      "Name: VCH-4, dtype: int64\n",
      "VCH-5 的特征分布：\n",
      "0.000000    842\n",
      "0.022822    107\n",
      "0.076547     82\n",
      "0.027951     77\n",
      "0.111803     72\n",
      "           ... \n",
      "0.301699      1\n",
      "0.128414      1\n",
      "0.192886      1\n",
      "0.145802      1\n",
      "0.157275      1\n",
      "Name: VCH-5, Length: 207, dtype: int64\n",
      "VCH-6 的特征分布：\n",
      "0.087631    44\n",
      "0.048113    28\n",
      "0.107563    25\n",
      "0.237523    24\n",
      "0.054424    24\n",
      "            ..\n",
      "0.337900     1\n",
      "0.181673     1\n",
      "0.140952     1\n",
      "0.186416     1\n",
      "0.316703     1\n",
      "Name: VCH-6, Length: 811, dtype: int64\n",
      "VCH-7 的特征分布：\n",
      "0.067578    29\n",
      "0.720311    12\n",
      "0.568966    11\n",
      "0.092748    11\n",
      "0.134751    11\n",
      "            ..\n",
      "0.420887     1\n",
      "0.414611     1\n",
      "0.462615     1\n",
      "0.446577     1\n",
      "0.471397     1\n",
      "Name: VCH-7, Length: 1387, dtype: int64\n",
      "SC-3 的特征分布：\n",
      "1.380100    28\n",
      "1.562829    24\n",
      "2.141041    22\n",
      "1.924431    21\n",
      "2.226065    21\n",
      "            ..\n",
      "2.627440     1\n",
      "1.229496     1\n",
      "3.502642     1\n",
      "1.008862     1\n",
      "3.216356     1\n",
      "Name: SC-3, Length: 933, dtype: int64\n",
      "SC-4 的特征分布：\n",
      "0.000000    1426\n",
      "0.102062      83\n",
      "0.204124      69\n",
      "0.083333      61\n",
      "0.096225      55\n",
      "0.166667      49\n",
      "0.288675      42\n",
      "0.353553      35\n",
      "0.201184      27\n",
      "0.117851      27\n",
      "0.250000       9\n",
      "0.390737       8\n",
      "0.144338       8\n",
      "0.055556       7\n",
      "0.227062       6\n",
      "0.125000       5\n",
      "0.235702       4\n",
      "0.372008       3\n",
      "0.287457       3\n",
      "0.492799       3\n",
      "0.260110       3\n",
      "0.362172       3\n",
      "0.577350       3\n",
      "0.310395       3\n",
      "0.298113       3\n",
      "0.449778       2\n",
      "0.384900       2\n",
      "0.455342       2\n",
      "0.401293       2\n",
      "0.454124       1\n",
      "0.380901       1\n",
      "0.471405       1\n",
      "0.557678       1\n",
      "0.436887       1\n",
      "0.174231       1\n",
      "0.396690       1\n",
      "0.344913       1\n",
      "0.406526       1\n",
      "0.408248       1\n",
      "0.329124       1\n",
      "0.394338       1\n",
      "0.308302       1\n",
      "0.306186       1\n",
      "0.370791       1\n",
      "0.190450       1\n",
      "0.451184       1\n",
      "0.433013       1\n",
      "0.520220       1\n",
      "0.544628       1\n",
      "0.500000       1\n",
      "Name: SC-4, dtype: int64\n",
      "SC-5 的特征分布：\n",
      "0.274972    70\n",
      "0.395762    51\n",
      "0.247194    50\n",
      "0.224513    46\n",
      "0.354745    46\n",
      "            ..\n",
      "0.763054     1\n",
      "0.378917     1\n",
      "0.423946     1\n",
      "0.862645     1\n",
      "1.352765     1\n",
      "Name: SC-5, Length: 565, dtype: int64\n",
      "SC-6 的特征分布：\n",
      "0.000000    1476\n",
      "0.083333      85\n",
      "0.034021      78\n",
      "0.126680      55\n",
      "0.151375      30\n",
      "            ... \n",
      "0.344375       1\n",
      "0.556071       1\n",
      "0.580479       1\n",
      "0.510389       1\n",
      "0.451413       1\n",
      "Name: SC-6, Length: 68, dtype: int64\n",
      "VC-3 的特征分布：\n",
      "0.953123    18\n",
      "0.859693    14\n",
      "1.792308    12\n",
      "1.075544    11\n",
      "1.005594    10\n",
      "            ..\n",
      "1.061768     1\n",
      "1.064003     1\n",
      "0.433673     1\n",
      "0.525664     1\n",
      "1.234496     1\n",
      "Name: VC-3, Length: 1449, dtype: int64\n",
      "VC-4 的特征分布：\n",
      "0.000000    1426\n",
      "0.088388      83\n",
      "0.055902      57\n",
      "0.062500      48\n",
      "0.022808      46\n",
      "            ... \n",
      "0.034118       1\n",
      "0.077729       1\n",
      "0.092556       1\n",
      "0.316228       1\n",
      "0.426777       1\n",
      "Name: VC-4, Length: 81, dtype: int64\n",
      "VC-5 的特征分布：\n",
      "0.140258    50\n",
      "0.174055    45\n",
      "0.143889    38\n",
      "0.093227    38\n",
      "0.336701    34\n",
      "            ..\n",
      "0.118802     1\n",
      "0.136442     1\n",
      "0.131314     1\n",
      "0.104340     1\n",
      "0.246933     1\n",
      "Name: VC-5, Length: 1077, dtype: int64\n",
      "VC-6 的特征分布：\n",
      "0.000000    1476\n",
      "0.022097      78\n",
      "0.054536      54\n",
      "0.009815      36\n",
      "0.041667      33\n",
      "            ... \n",
      "0.011411       1\n",
      "0.127047       1\n",
      "0.050773       1\n",
      "0.050000       1\n",
      "0.086566       1\n",
      "Name: VC-6, Length: 115, dtype: int64\n",
      "SPC-4 的特征分布：\n",
      "5.085799    18\n",
      "4.314172    14\n",
      "4.748587    14\n",
      "6.286731    13\n",
      "3.338816    12\n",
      "            ..\n",
      "2.519516     1\n",
      "1.777256     1\n",
      "1.140119     1\n",
      "8.245915     1\n",
      "7.019322     1\n",
      "Name: SPC-4, Length: 1244, dtype: int64\n",
      "SPC-5 的特征分布：\n",
      "8.759694     16\n",
      "6.610987     14\n",
      "7.792522     13\n",
      "10.853190    11\n",
      "4.777567     11\n",
      "             ..\n",
      "6.338709      1\n",
      "5.683549      1\n",
      "4.490965      1\n",
      "5.183583      1\n",
      "12.176128     1\n",
      "Name: SPC-5, Length: 1316, dtype: int64\n",
      "SPC-6 的特征分布：\n",
      "15.493957    11\n",
      "13.637694    11\n",
      "8.621753     10\n",
      "11.631068    10\n",
      "6.711544     10\n",
      "             ..\n",
      "9.598658      1\n",
      "8.464242      1\n",
      "8.537464      1\n",
      "10.033039     1\n",
      "17.412329     1\n",
      "Name: SPC-6, Length: 1401, dtype: int64\n",
      "VPC-4 的特征分布：\n",
      "2.113032    14\n",
      "1.465019    12\n",
      "4.831266    10\n",
      "2.416269    10\n",
      "2.029142     9\n",
      "            ..\n",
      "1.571064     1\n",
      "1.233653     1\n",
      "1.246622     1\n",
      "1.473356     1\n",
      "2.667180     1\n",
      "Name: VPC-4, Length: 1658, dtype: int64\n",
      "VPC-5 的特征分布：\n",
      "1.935222    9\n",
      "3.713592    9\n",
      "3.160283    7\n",
      "3.167385    7\n",
      "1.984719    7\n",
      "           ..\n",
      "1.795824    1\n",
      "1.917972    1\n",
      "2.437649    1\n",
      "2.120052    1\n",
      "4.008055    1\n",
      "Name: VPC-5, Length: 1751, dtype: int64\n",
      "VPC-6 的特征分布：\n",
      "2.421415    9\n",
      "4.030699    7\n",
      "4.550592    6\n",
      "4.119119    5\n",
      "4.575568    5\n",
      "           ..\n",
      "4.318411    1\n",
      "2.579739    1\n",
      "2.615553    1\n",
      "3.305489    1\n",
      "5.083699    1\n",
      "Name: VPC-6, Length: 1819, dtype: int64\n",
      "SP-0 的特征分布：\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "23.492989    52\n",
      "14.275656    46\n",
      "14.982763    42\n",
      "13.405413    35\n",
      "22.622745    34\n",
      "             ..\n",
      "15.284093     1\n",
      "19.371668     1\n",
      "12.292529     1\n",
      "21.725404     1\n",
      "26.984552     1\n",
      "Name: SP-0, Length: 573, dtype: int64\n",
      "SP-1 的特征分布：\n",
      "10.079719    23\n",
      "16.153000    22\n",
      "16.580520    21\n",
      "9.558551     19\n",
      "9.969234     18\n",
      "             ..\n",
      "10.809663     1\n",
      "12.562882     1\n",
      "10.168234     1\n",
      "13.903817     1\n",
      "18.870143     1\n",
      "Name: SP-1, Length: 991, dtype: int64\n",
      "SP-2 的特征分布：\n",
      "9.269671     14\n",
      "14.473194    11\n",
      "10.536718    11\n",
      "8.420275     10\n",
      "8.761923     10\n",
      "             ..\n",
      "12.787228     1\n",
      "13.409090     1\n",
      "14.211959     1\n",
      "14.565513     1\n",
      "19.486828     1\n",
      "Name: SP-2, Length: 1347, dtype: int64\n",
      "SP-3 的特征分布：\n",
      "9.816081     11\n",
      "12.214228    11\n",
      "7.053206     10\n",
      "7.499941     10\n",
      "7.956569      9\n",
      "             ..\n",
      "6.930694      1\n",
      "7.428511      1\n",
      "8.006736      1\n",
      "6.738286      1\n",
      "15.310538     1\n",
      "Name: SP-3, Length: 1418, dtype: int64\n",
      "SP-4 的特征分布：\n",
      "8.491143     11\n",
      "5.966542     10\n",
      "6.618297     10\n",
      "10.083315    10\n",
      "6.277991      9\n",
      "             ..\n",
      "7.227924      1\n",
      "10.584139     1\n",
      "10.426736     1\n",
      "9.964422      1\n",
      "13.619529     1\n",
      "Name: SP-4, Length: 1446, dtype: int64\n",
      "SP-5 的特征分布：\n",
      "7.196379     11\n",
      "4.933871     10\n",
      "8.856915     10\n",
      "5.056080     10\n",
      "5.609613      9\n",
      "             ..\n",
      "6.148128      1\n",
      "8.552390      1\n",
      "8.766361      1\n",
      "8.426421      1\n",
      "11.166916     1\n",
      "Name: SP-5, Length: 1455, dtype: int64\n",
      "SP-6 的特征分布：\n",
      "5.491107    11\n",
      "3.475511    10\n",
      "6.137207    10\n",
      "3.635495    10\n",
      "3.832284     9\n",
      "            ..\n",
      "4.794133     1\n",
      "4.851896     1\n",
      "4.065309     1\n",
      "7.035977     1\n",
      "8.094804     1\n",
      "Name: SP-6, Length: 1456, dtype: int64\n",
      "SP-7 的特征分布：\n",
      "4.246685    11\n",
      "2.371073    10\n",
      "4.671124    10\n",
      "2.347048    10\n",
      "2.680822     9\n",
      "            ..\n",
      "2.817331     1\n",
      "5.184310     1\n",
      "4.735301     1\n",
      "4.400523     1\n",
      "6.101033     1\n",
      "Name: SP-7, Length: 1457, dtype: int64\n",
      "VP-0 的特征分布：\n",
      "10.946041    12\n",
      "20.569468     9\n",
      "19.338183     8\n",
      "19.501320     8\n",
      "9.161204      7\n",
      "             ..\n",
      "11.329346     1\n",
      "12.743559     1\n",
      "14.157773     1\n",
      "15.571986     1\n",
      "21.048223     1\n",
      "Name: VP-0, Length: 1526, dtype: int64\n",
      "VP-1 的特征分布：\n",
      "12.358058    9\n",
      "12.439454    7\n",
      "13.299660    5\n",
      "9.966056     5\n",
      "12.799660    5\n",
      "            ..\n",
      "8.920822     1\n",
      "7.920822     1\n",
      "8.360162     1\n",
      "7.360162     1\n",
      "12.988256    1\n",
      "Name: VP-1, Length: 1682, dtype: int64\n",
      "VP-2 的特征分布：\n",
      "9.885201     7\n",
      "9.802668     5\n",
      "10.022858    5\n",
      "9.485001     4\n",
      "9.486370     4\n",
      "            ..\n",
      "4.476771     1\n",
      "4.681842     1\n",
      "4.295144     1\n",
      "5.727380     1\n",
      "10.807150    1\n",
      "Name: VP-2, Length: 1790, dtype: int64\n",
      "VP-3 的特征分布：\n",
      "7.188019    6\n",
      "7.467076    4\n",
      "7.518796    4\n",
      "7.217076    4\n",
      "5.899379    4\n",
      "           ..\n",
      "3.222984    1\n",
      "3.708080    1\n",
      "3.714798    1\n",
      "3.202202    1\n",
      "7.583319    1\n",
      "Name: VP-3, Length: 1849, dtype: int64\n",
      "VP-4 的特征分布：\n",
      "5.147974    6\n",
      "5.603959    4\n",
      "6.035097    3\n",
      "6.926784    3\n",
      "4.773213    3\n",
      "           ..\n",
      "2.646494    1\n",
      "2.653879    1\n",
      "2.494578    1\n",
      "2.697738    1\n",
      "5.757921    1\n",
      "Name: VP-4, Length: 1868, dtype: int64\n",
      "VP-5 的特征分布：\n",
      "3.609842    6\n",
      "3.312299    3\n",
      "3.536426    3\n",
      "2.689834    3\n",
      "3.446992    3\n",
      "           ..\n",
      "1.878595    1\n",
      "1.650125    1\n",
      "1.862545    1\n",
      "1.883120    1\n",
      "4.156763    1\n",
      "Name: VP-5, Length: 1873, dtype: int64\n",
      "VP-6 的特征分布：\n",
      "2.058375    6\n",
      "2.763674    3\n",
      "2.148123    3\n",
      "4.057976    3\n",
      "2.198169    3\n",
      "           ..\n",
      "1.073645    1\n",
      "1.079768    1\n",
      "0.969440    1\n",
      "1.071312    1\n",
      "2.610182    1\n",
      "Name: VP-6, Length: 1876, dtype: int64\n",
      "VP-7 的特征分布：\n",
      "1.159282    6\n",
      "1.757157    3\n",
      "1.551236    3\n",
      "0.948452    3\n",
      "1.422543    3\n",
      "           ..\n",
      "0.634384    1\n",
      "0.538492    1\n",
      "0.606982    1\n",
      "0.618800    1\n",
      "1.720648    1\n",
      "Name: VP-7, Length: 1877, dtype: int64\n",
      "CrippenLogP 的特征分布：\n",
      "6.00918    8\n",
      "6.11878    8\n",
      "4.07958    7\n",
      "6.50728    7\n",
      "6.11718    6\n",
      "          ..\n",
      "3.19378    1\n",
      "3.03768    1\n",
      "2.86128    1\n",
      "4.24948    1\n",
      "6.05817    1\n",
      "Name: CrippenLogP, Length: 1607, dtype: int64\n",
      "CrippenMR 的特征分布：\n",
      "138.6108    8\n",
      "133.3328    7\n",
      "92.3166     7\n",
      "137.9278    6\n",
      "85.7468     6\n",
      "           ..\n",
      "82.3510     1\n",
      "96.8900     1\n",
      "77.7340     1\n",
      "89.0200     1\n",
      "143.4416    1\n",
      "Name: CrippenMR, Length: 1629, dtype: int64\n",
      "ECCEN 的特征分布：\n",
      "375     21\n",
      "383     21\n",
      "358     16\n",
      "373     16\n",
      "364     16\n",
      "        ..\n",
      "632      1\n",
      "775      1\n",
      "880      1\n",
      "792      1\n",
      "1338     1\n",
      "Name: ECCEN, Length: 788, dtype: int64\n",
      "nHBd 的特征分布：\n",
      "2     936\n",
      "1     626\n",
      "3     254\n",
      "0     125\n",
      "4      20\n",
      "6       3\n",
      "17      3\n",
      "5       2\n",
      "8       1\n",
      "46      1\n",
      "16      1\n",
      "18      1\n",
      "15      1\n",
      "Name: nHBd, dtype: int64\n",
      "nwHBd 的特征分布：\n",
      "0    1939\n",
      "1      34\n",
      "2       1\n",
      "Name: nwHBd, dtype: int64\n",
      "nHBa 的特征分布：\n",
      "5     388\n",
      "4     368\n",
      "6     342\n",
      "3     295\n",
      "2     218\n",
      "7     189\n",
      "8      82\n",
      "9      39\n",
      "1      25\n",
      "10     15\n",
      "27      3\n",
      "14      2\n",
      "12      2\n",
      "11      1\n",
      "68      1\n",
      "25      1\n",
      "28      1\n",
      "29      1\n",
      "0       1\n",
      "Name: nHBa, dtype: int64\n",
      "nwHBa 的特征分布：\n",
      "20    244\n",
      "18    229\n",
      "13    176\n",
      "15    173\n",
      "21    166\n",
      "12    130\n",
      "14    127\n",
      "16    108\n",
      "17    103\n",
      "19     61\n",
      "9      55\n",
      "23     53\n",
      "24     48\n",
      "10     48\n",
      "22     45\n",
      "28     37\n",
      "8      30\n",
      "4      28\n",
      "7      28\n",
      "11     26\n",
      "6      19\n",
      "2       9\n",
      "27      7\n",
      "26      6\n",
      "25      6\n",
      "29      4\n",
      "5       3\n",
      "3       3\n",
      "0       1\n",
      "32      1\n",
      "Name: nwHBa, dtype: int64\n",
      "nHBint2 的特征分布：\n",
      "0     1545\n",
      "1      316\n",
      "2       72\n",
      "3       16\n",
      "5        9\n",
      "6        5\n",
      "22       4\n",
      "4        3\n",
      "68       1\n",
      "21       1\n",
      "16       1\n",
      "12       1\n",
      "Name: nHBint2, dtype: int64\n",
      "nHBint3 的特征分布：\n",
      "0     1567\n",
      "1      276\n",
      "2       98\n",
      "3       13\n",
      "4        7\n",
      "5        4\n",
      "27       4\n",
      "29       2\n",
      "8        1\n",
      "9        1\n",
      "59       1\n",
      "Name: nHBint3, dtype: int64\n",
      "nHBint4 的特征分布：\n",
      "0    1142\n",
      "1     546\n",
      "2     145\n",
      "3      58\n",
      "4      43\n",
      "5      28\n",
      "6       8\n",
      "8       2\n",
      "9       2\n",
      "Name: nHBint4, dtype: int64\n",
      "nHBint5 的特征分布：\n",
      "0     1261\n",
      "1      516\n",
      "2      118\n",
      "3       50\n",
      "4       14\n",
      "5        3\n",
      "15       3\n",
      "6        2\n",
      "9        1\n",
      "10       1\n",
      "11       1\n",
      "39       1\n",
      "12       1\n",
      "18       1\n",
      "17       1\n",
      "Name: nHBint5, dtype: int64\n",
      "nHBint6 的特征分布：\n",
      "0     1063\n",
      "1      667\n",
      "2      154\n",
      "3       63\n",
      "4       12\n",
      "5        5\n",
      "34       2\n",
      "35       2\n",
      "10       1\n",
      "7        1\n",
      "86       1\n",
      "30       1\n",
      "36       1\n",
      "12       1\n",
      "Name: nHBint6, dtype: int64\n",
      "nHBint7 的特征分布：\n",
      "0     1286\n",
      "1      483\n",
      "2      133\n",
      "3       39\n",
      "4       21\n",
      "5        5\n",
      "12       3\n",
      "49       1\n",
      "9        1\n",
      "15       1\n",
      "14       1\n",
      "Name: nHBint7, dtype: int64\n",
      "nHBint8 的特征分布：\n",
      "0     1447\n",
      "1      380\n",
      "2       93\n",
      "3       27\n",
      "4       15\n",
      "27       3\n",
      "5        2\n",
      "6        2\n",
      "7        1\n",
      "88       1\n",
      "21       1\n",
      "28       1\n",
      "22       1\n",
      "Name: nHBint8, dtype: int64\n",
      "nHBint9 的特征分布：\n",
      "0     1490\n",
      "1      251\n",
      "2      173\n",
      "3       26\n",
      "7       11\n",
      "4        5\n",
      "5        5\n",
      "29       4\n",
      "6        3\n",
      "9        1\n",
      "10       1\n",
      "8        1\n",
      "93       1\n",
      "31       1\n",
      "27       1\n",
      "Name: nHBint9, dtype: int64\n",
      "nHBint10 的特征分布：\n",
      "0     990\n",
      "2     474\n",
      "1     355\n",
      "3     101\n",
      "4      36\n",
      "5       8\n",
      "9       3\n",
      "6       2\n",
      "10      1\n",
      "50      1\n",
      "8       1\n",
      "12      1\n",
      "15      1\n",
      "Name: nHBint10, dtype: int64\n",
      "nHsOH 的特征分布：\n",
      "2    847\n",
      "1    530\n",
      "0    426\n",
      "3    157\n",
      "4     10\n",
      "6      2\n",
      "5      2\n",
      "Name: nHsOH, dtype: int64\n",
      "nHdNH 的特征分布：\n",
      "0    1959\n",
      "1       9\n",
      "2       5\n",
      "8       1\n",
      "Name: nHdNH, dtype: int64\n",
      "nHsSH 的特征分布：\n",
      "0    1973\n",
      "1       1\n",
      "Name: nHsSH, dtype: int64\n",
      "nHsNH2 的特征分布：\n",
      "0     1924\n",
      "1       43\n",
      "5        5\n",
      "12       1\n",
      "4        1\n",
      "Name: nHsNH2, dtype: int64\n",
      "nHssNH 的特征分布：\n",
      "0     1639\n",
      "1      261\n",
      "2       60\n",
      "3        5\n",
      "10       5\n",
      "4        2\n",
      "26       1\n",
      "9        1\n",
      "Name: nHssNH, dtype: int64\n",
      "nHaaNH 的特征分布：\n",
      "0    1831\n",
      "1     139\n",
      "2       4\n",
      "Name: nHaaNH, dtype: int64\n",
      "nHsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: nHsNH3p, dtype: int64\n",
      "nHssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: nHssNH2p, dtype: int64\n",
      "nHsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: nHsssNHp, dtype: int64\n",
      "nHtCH 的特征分布：\n",
      "0    1957\n",
      "1      17\n",
      "Name: nHtCH, dtype: int64\n",
      "nHdCH2 的特征分布：\n",
      "0    1928\n",
      "1      46\n",
      "Name: nHdCH2, dtype: int64\n",
      "nHdsCH 的特征分布：\n",
      "0    1536\n",
      "2     238\n",
      "1     174\n",
      "3      19\n",
      "4       4\n",
      "5       2\n",
      "6       1\n",
      "Name: nHdsCH, dtype: int64\n",
      "nHaaCH 的特征分布：\n",
      "11    405\n",
      "6     208\n",
      "10    203\n",
      "7     192\n",
      "8     175\n",
      "12    115\n",
      "3     111\n",
      "5      96\n",
      "4      91\n",
      "9      90\n",
      "13     79\n",
      "0      57\n",
      "2      50\n",
      "15     41\n",
      "14     31\n",
      "1      13\n",
      "16      8\n",
      "17      4\n",
      "18      4\n",
      "19      1\n",
      "Name: nHaaCH, dtype: int64\n",
      "nHCHnX 的特征分布：\n",
      "0    1935\n",
      "1      38\n",
      "2       1\n",
      "Name: nHCHnX, dtype: int64\n",
      "nHCsats 的特征分布：\n",
      "0     607\n",
      "2     173\n",
      "7     168\n",
      "4     152\n",
      "9     145\n",
      "8     122\n",
      "6     110\n",
      "10    108\n",
      "3      96\n",
      "5      68\n",
      "11     64\n",
      "12     39\n",
      "14     33\n",
      "13     20\n",
      "16     15\n",
      "15     11\n",
      "20      9\n",
      "1       5\n",
      "21      4\n",
      "25      4\n",
      "17      3\n",
      "22      3\n",
      "18      3\n",
      "35      3\n",
      "36      2\n",
      "24      2\n",
      "23      1\n",
      "27      1\n",
      "19      1\n",
      "64      1\n",
      "34      1\n",
      "Name: nHCsats, dtype: int64\n",
      "nHCsatu 的特征分布：\n",
      "0     1218\n",
      "1      425\n",
      "2      258\n",
      "3       36\n",
      "4       21\n",
      "5        5\n",
      "6        3\n",
      "10       3\n",
      "12       2\n",
      "8        1\n",
      "20       1\n",
      "9        1\n",
      "Name: nHCsatu, dtype: int64\n",
      "nHAvin 的特征分布：\n",
      "0    1668\n",
      "1     262\n",
      "2      44\n",
      "Name: nHAvin, dtype: int64\n",
      "nHother 的特征分布：\n",
      "11    329\n",
      "6     206\n",
      "7     198\n",
      "10    189\n",
      "8     169\n",
      "13    151\n",
      "12    148\n",
      "3     118\n",
      "9     115\n",
      "4      83\n",
      "5      69\n",
      "2      52\n",
      "14     43\n",
      "15     29\n",
      "1      25\n",
      "17     23\n",
      "0      12\n",
      "16      8\n",
      "18      3\n",
      "19      2\n",
      "20      2\n",
      "Name: nHother, dtype: int64\n",
      "nHmisc 的特征分布：\n",
      "0    1974\n",
      "Name: nHmisc, dtype: int64\n",
      "nsLi 的特征分布：\n",
      "0    1974\n",
      "Name: nsLi, dtype: int64\n",
      "nssBe 的特征分布：\n",
      "0    1974\n",
      "Name: nssBe, dtype: int64\n",
      "nssssBem 的特征分布：\n",
      "0    1974\n",
      "Name: nssssBem, dtype: int64\n",
      "nsBH2 的特征分布：\n",
      "0    1974\n",
      "Name: nsBH2, dtype: int64\n",
      "nssBH 的特征分布：\n",
      "0    1974\n",
      "Name: nssBH, dtype: int64\n",
      "nsssB 的特征分布：\n",
      "0    1974\n",
      "Name: nsssB, dtype: int64\n",
      "nssssBm 的特征分布：\n",
      "0    1974\n",
      "Name: nssssBm, dtype: int64\n",
      "nsCH3 的特征分布：\n",
      "0     719\n",
      "1     628\n",
      "2     378\n",
      "3     153\n",
      "4      64\n",
      "5      17\n",
      "6       7\n",
      "9       3\n",
      "8       2\n",
      "7       1\n",
      "11      1\n",
      "10      1\n",
      "Name: nsCH3, dtype: int64\n",
      "ndCH2 的特征分布：\n",
      "0    1928\n",
      "1      46\n",
      "Name: ndCH2, dtype: int64\n",
      "nssCH2 的特征分布：\n",
      "0     503\n",
      "1     219\n",
      "2     196\n",
      "7     183\n",
      "4     168\n",
      "8     135\n",
      "6     134\n",
      "5     123\n",
      "3     110\n",
      "9      90\n",
      "10     38\n",
      "11     17\n",
      "13     14\n",
      "12     14\n",
      "14      9\n",
      "15      6\n",
      "17      5\n",
      "18      4\n",
      "16      2\n",
      "20      1\n",
      "39      1\n",
      "19      1\n",
      "21      1\n",
      "Name: nssCH2, dtype: int64\n",
      "ntCH 的特征分布：\n",
      "0    1957\n",
      "1      17\n",
      "Name: ntCH, dtype: int64\n",
      "ndsCH 的特征分布：\n",
      "0    1536\n",
      "2     238\n",
      "1     174\n",
      "3      19\n",
      "4       4\n",
      "5       2\n",
      "6       1\n",
      "Name: ndsCH, dtype: int64\n",
      "naaCH 的特征分布：\n",
      "11    405\n",
      "6     208\n",
      "10    203\n",
      "7     192\n",
      "8     175\n",
      "12    115\n",
      "3     111\n",
      "5      96\n",
      "4      91\n",
      "9      90\n",
      "13     79\n",
      "0      57\n",
      "2      50\n",
      "15     41\n",
      "14     31\n",
      "1      13\n",
      "16      8\n",
      "17      4\n",
      "18      4\n",
      "19      1\n",
      "Name: naaCH, dtype: int64\n",
      "nsssCH 的特征分布：\n",
      "0     1197\n",
      "1      315\n",
      "2      188\n",
      "3      146\n",
      "4       61\n",
      "5       40\n",
      "8       10\n",
      "6        9\n",
      "12       4\n",
      "7        1\n",
      "20       1\n",
      "11       1\n",
      "13       1\n",
      "Name: nsssCH, dtype: int64\n",
      "nddC 的特征分布：\n",
      "0    1974\n",
      "Name: nddC, dtype: int64\n",
      "ntsC 的特征分布：\n",
      "0    1872\n",
      "1      91\n",
      "2      11\n",
      "Name: ntsC, dtype: int64\n",
      "ndssC 的特征分布：\n",
      "0     755\n",
      "1     504\n",
      "2     352\n",
      "3     242\n",
      "4      89\n",
      "5      11\n",
      "7       7\n",
      "6       6\n",
      "12      4\n",
      "11      2\n",
      "28      1\n",
      "8       1\n",
      "Name: ndssC, dtype: int64\n",
      "naasC 的特征分布：\n",
      "7     476\n",
      "5     354\n",
      "6     324\n",
      "4     234\n",
      "8     215\n",
      "3     161\n",
      "2      83\n",
      "9      63\n",
      "0      53\n",
      "10      6\n",
      "1       3\n",
      "14      1\n",
      "12      1\n",
      "Name: naasC, dtype: int64\n",
      "naaaC 的特征分布：\n",
      "0    1273\n",
      "2     604\n",
      "4      50\n",
      "6      21\n",
      "1      19\n",
      "3       7\n",
      "Name: naaaC, dtype: int64\n",
      "nssssC 的特征分布：\n",
      "0    1538\n",
      "1     346\n",
      "2      75\n",
      "3      15\n",
      "Name: nssssC, dtype: int64\n",
      "nsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: nsNH3p, dtype: int64\n",
      "nsNH2 的特征分布：\n",
      "0     1924\n",
      "1       43\n",
      "5        5\n",
      "12       1\n",
      "4        1\n",
      "Name: nsNH2, dtype: int64\n",
      "nssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: nssNH2p, dtype: int64\n",
      "ndNH 的特征分布：\n",
      "0    1959\n",
      "1       9\n",
      "2       5\n",
      "8       1\n",
      "Name: ndNH, dtype: int64\n",
      "nssNH 的特征分布：\n",
      "0     1639\n",
      "1      261\n",
      "2       60\n",
      "3        5\n",
      "10       5\n",
      "4        2\n",
      "26       1\n",
      "9        1\n",
      "Name: nssNH, dtype: int64\n",
      "naaNH 的特征分布：\n",
      "0    1831\n",
      "1     139\n",
      "2       4\n",
      "Name: naaNH, dtype: int64\n",
      "ntN 的特征分布：\n",
      "0    1895\n",
      "1      74\n",
      "2       5\n",
      "Name: ntN, dtype: int64\n",
      "nsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: nsssNHp, dtype: int64\n",
      "ndsN 的特征分布：\n",
      "0    1850\n",
      "1     118\n",
      "2       6\n",
      "Name: ndsN, dtype: int64\n",
      "naaN 的特征分布：\n",
      "0    1497\n",
      "1     302\n",
      "2     135\n",
      "3      31\n",
      "4       6\n",
      "5       2\n",
      "6       1\n",
      "Name: naaN, dtype: int64\n",
      "nsssN 的特征分布：\n",
      "0    1093\n",
      "1     740\n",
      "2     101\n",
      "3      40\n",
      "Name: nsssN, dtype: int64\n",
      "nddsN 的特征分布：\n",
      "0    1974\n",
      "Name: nddsN, dtype: int64\n",
      "naasN 的特征分布：\n",
      "0    1783\n",
      "1     187\n",
      "2       4\n",
      "Name: naasN, dtype: int64\n",
      "nssssNp 的特征分布：\n",
      "0    1973\n",
      "1       1\n",
      "Name: nssssNp, dtype: int64\n",
      "nsOH 的特征分布：\n",
      "2    847\n",
      "1    530\n",
      "0    426\n",
      "3    157\n",
      "4     10\n",
      "6      2\n",
      "5      2\n",
      "Name: nsOH, dtype: int64\n",
      "ndO 的特征分布：\n",
      "0     924\n",
      "1     653\n",
      "2     308\n",
      "3      48\n",
      "4      32\n",
      "10      5\n",
      "6       2\n",
      "20      1\n",
      "9       1\n",
      "Name: ndO, dtype: int64\n",
      "nssO 的特征分布：\n",
      "0    934\n",
      "1    558\n",
      "2    347\n",
      "3    113\n",
      "4     19\n",
      "5      3\n",
      "Name: nssO, dtype: int64\n",
      "naaO 的特征分布：\n",
      "0    1689\n",
      "1     270\n",
      "2      14\n",
      "3       1\n",
      "Name: naaO, dtype: int64\n",
      "naOm 的特征分布：\n",
      "0    1974\n",
      "Name: naOm, dtype: int64\n",
      "nsOm 的特征分布：\n",
      "0    1956\n",
      "1      15\n",
      "2       3\n",
      "Name: nsOm, dtype: int64\n",
      "nsF 的特征分布：\n",
      "0    1648\n",
      "1     201\n",
      "3      70\n",
      "2      41\n",
      "4       7\n",
      "5       4\n",
      "6       3\n",
      "Name: nsF, dtype: int64\n",
      "nsSiH3 的特征分布：\n",
      "0    1974\n",
      "Name: nsSiH3, dtype: int64\n",
      "nssSiH2 的特征分布：\n",
      "0    1974\n",
      "Name: nssSiH2, dtype: int64\n",
      "nsssSiH 的特征分布：\n",
      "0    1974\n",
      "Name: nsssSiH, dtype: int64\n",
      "nssssSi 的特征分布：\n",
      "0    1974\n",
      "Name: nssssSi, dtype: int64\n",
      "nsPH2 的特征分布：\n",
      "0    1974\n",
      "Name: nsPH2, dtype: int64\n",
      "nssPH 的特征分布：\n",
      "0    1974\n",
      "Name: nssPH, dtype: int64\n",
      "nsssP 的特征分布：\n",
      "0    1974\n",
      "Name: nsssP, dtype: int64\n",
      "ndsssP 的特征分布：\n",
      "0    1972\n",
      "1       2\n",
      "Name: ndsssP, dtype: int64\n",
      "nddsP 的特征分布：\n",
      "0    1974\n",
      "Name: nddsP, dtype: int64\n",
      "nsssssP 的特征分布：\n",
      "0    1974\n",
      "Name: nsssssP, dtype: int64\n",
      "nsSH 的特征分布：\n",
      "0    1973\n",
      "1       1\n",
      "Name: nsSH, dtype: int64\n",
      "ndS 的特征分布：\n",
      "0    1941\n",
      "1      33\n",
      "Name: ndS, dtype: int64\n",
      "nssS 的特征分布：\n",
      "0    1753\n",
      "1     202\n",
      "2      18\n",
      "6       1\n",
      "Name: nssS, dtype: int64\n",
      "naaS 的特征分布：\n",
      "0    1787\n",
      "1     169\n",
      "2      18\n",
      "Name: naaS, dtype: int64\n",
      "ndssS 的特征分布：\n",
      "0    1973\n",
      "1       1\n",
      "Name: ndssS, dtype: int64\n",
      "nddssS 的特征分布：\n",
      "0    1851\n",
      "1     123\n",
      "Name: nddssS, dtype: int64\n",
      "nssssssS 的特征分布：\n",
      "0    1974\n",
      "Name: nssssssS, dtype: int64\n",
      "nSm 的特征分布：\n",
      "0    1974\n",
      "Name: nSm, dtype: int64\n",
      "nsCl 的特征分布：\n",
      "0    1801\n",
      "1     152\n",
      "2      19\n",
      "6       1\n",
      "4       1\n",
      "Name: nsCl, dtype: int64\n",
      "nsGeH3 的特征分布：\n",
      "0    1974\n",
      "Name: nsGeH3, dtype: int64\n",
      "nssGeH2 的特征分布：\n",
      "0    1974\n",
      "Name: nssGeH2, dtype: int64\n",
      "nsssGeH 的特征分布：\n",
      "0    1974\n",
      "Name: nsssGeH, dtype: int64\n",
      "nssssGe 的特征分布：\n",
      "0    1974\n",
      "Name: nssssGe, dtype: int64\n",
      "nsAsH2 的特征分布：\n",
      "0    1974\n",
      "Name: nsAsH2, dtype: int64\n",
      "nssAsH 的特征分布：\n",
      "0    1974\n",
      "Name: nssAsH, dtype: int64\n",
      "nsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: nsssAs, dtype: int64\n",
      "ndsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: ndsssAs, dtype: int64\n",
      "nddsAs 的特征分布：\n",
      "0    1974\n",
      "Name: nddsAs, dtype: int64\n",
      "nsssssAs 的特征分布：\n",
      "0    1974\n",
      "Name: nsssssAs, dtype: int64\n",
      "nsSeH 的特征分布：\n",
      "0    1974\n",
      "Name: nsSeH, dtype: int64\n",
      "ndSe 的特征分布：\n",
      "0    1974\n",
      "Name: ndSe, dtype: int64\n",
      "nssSe 的特征分布：\n",
      "0    1974\n",
      "Name: nssSe, dtype: int64\n",
      "naaSe 的特征分布：\n",
      "0    1974\n",
      "Name: naaSe, dtype: int64\n",
      "ndssSe 的特征分布：\n",
      "0    1974\n",
      "Name: ndssSe, dtype: int64\n",
      "nssssssSe 的特征分布：\n",
      "0    1974\n",
      "Name: nssssssSe, dtype: int64\n",
      "nddssSe 的特征分布：\n",
      "0    1974\n",
      "Name: nddssSe, dtype: int64\n",
      "nsBr 的特征分布：\n",
      "0    1859\n",
      "1     110\n",
      "2       4\n",
      "3       1\n",
      "Name: nsBr, dtype: int64\n",
      "nsSnH3 的特征分布：\n",
      "0    1974\n",
      "Name: nsSnH3, dtype: int64\n",
      "nssSnH2 的特征分布：\n",
      "0    1974\n",
      "Name: nssSnH2, dtype: int64\n",
      "nsssSnH 的特征分布：\n",
      "0    1974\n",
      "Name: nsssSnH, dtype: int64\n",
      "nssssSn 的特征分布：\n",
      "0    1974\n",
      "Name: nssssSn, dtype: int64\n",
      "nsI 的特征分布：\n",
      "0    1970\n",
      "1       2\n",
      "2       2\n",
      "Name: nsI, dtype: int64\n",
      "nsPbH3 的特征分布：\n",
      "0    1974\n",
      "Name: nsPbH3, dtype: int64\n",
      "nssPbH2 的特征分布：\n",
      "0    1974\n",
      "Name: nssPbH2, dtype: int64\n",
      "nsssPbH 的特征分布：\n",
      "0    1974\n",
      "Name: nsssPbH, dtype: int64\n",
      "nssssPb 的特征分布：\n",
      "0    1974\n",
      "Name: nssssPb, dtype: int64\n",
      "SHBd 的特征分布：\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.000000    125\n",
      "0.924225      7\n",
      "0.997247      6\n",
      "0.996499      5\n",
      "0.991074      5\n",
      "           ... \n",
      "0.511617      1\n",
      "0.512111      1\n",
      "0.503847      1\n",
      "0.584148      1\n",
      "2.118206      1\n",
      "Name: SHBd, Length: 1677, dtype: int64\n",
      "SwHBd 的特征分布：\n",
      "0.000000    1939\n",
      "1.287119       3\n",
      "0.638337       2\n",
      "0.691961       2\n",
      "0.738836       2\n",
      "0.257164       2\n",
      "1.092678       1\n",
      "0.661825       1\n",
      "0.667110       1\n",
      "0.672301       1\n",
      "2.078840       1\n",
      "0.670571       1\n",
      "0.660794       1\n",
      "0.864382       1\n",
      "1.239382       1\n",
      "0.667769       1\n",
      "1.137867       1\n",
      "0.717678       1\n",
      "0.336505       1\n",
      "0.845921       1\n",
      "0.707367       1\n",
      "0.599097       1\n",
      "1.292900       1\n",
      "1.253005       1\n",
      "1.356535       1\n",
      "1.350019       1\n",
      "0.554833       1\n",
      "0.353444       1\n",
      "0.396008       1\n",
      "0.667484       1\n",
      "Name: SwHBd, dtype: int64\n",
      "SHBa 的特征分布：\n",
      "35.280436    6\n",
      "33.189786    3\n",
      "21.920135    3\n",
      "28.872735    3\n",
      "21.064867    3\n",
      "            ..\n",
      "37.191778    1\n",
      "50.903970    1\n",
      "38.293183    1\n",
      "38.742589    1\n",
      "78.139817    1\n",
      "Name: SHBa, Length: 1869, dtype: int64\n",
      "SwHBa 的特征分布：\n",
      "27.141253    6\n",
      "26.087317    3\n",
      "20.479860    3\n",
      "24.252159    3\n",
      "31.319447    3\n",
      "            ..\n",
      "11.623652    1\n",
      "10.557655    1\n",
      "10.614777    1\n",
      "9.397129     1\n",
      "32.695525    1\n",
      "Name: SwHBa, Length: 1864, dtype: int64\n",
      "SHBint2 的特征分布：\n",
      "0.000000     1545\n",
      "7.606146        3\n",
      "7.350681        3\n",
      "7.473317        3\n",
      "7.433628        3\n",
      "             ... \n",
      "5.414904        1\n",
      "7.159422        1\n",
      "6.455195        1\n",
      "8.175381        1\n",
      "57.206447       1\n",
      "Name: SHBint2, Length: 408, dtype: int64\n",
      "SHBint3 的特征分布：\n",
      "0.000000     1567\n",
      "4.938403        2\n",
      "1.125620        2\n",
      "49.245290       2\n",
      "7.266939        2\n",
      "             ... \n",
      "1.085606        1\n",
      "8.236160        1\n",
      "7.659502        1\n",
      "8.307561        1\n",
      "2.771831        1\n",
      "Name: SHBint3, Length: 397, dtype: int64\n",
      "SHBint4 的特征分布：\n",
      " 0.000000     1142\n",
      " 6.015793        4\n",
      " 5.984012        3\n",
      "-0.773156        3\n",
      "-0.771763        3\n",
      "              ... \n",
      "-0.719907        1\n",
      "-0.667916        1\n",
      "-0.733363        1\n",
      "-0.662692        1\n",
      " 10.513617       1\n",
      "Name: SHBint4, Length: 779, dtype: int64\n",
      "SHBint5 的特征分布：\n",
      "0.000000    1261\n",
      "3.048675       6\n",
      "3.109818       3\n",
      "3.247680       3\n",
      "5.801641       3\n",
      "            ... \n",
      "7.701850       1\n",
      "0.402542       1\n",
      "0.366342       1\n",
      "5.691441       1\n",
      "3.143239       1\n",
      "Name: SHBint5, Length: 676, dtype: int64\n",
      "SHBint6 的特征分布：\n",
      " 0.000000     1063\n",
      " 2.929036        6\n",
      "-0.830769        3\n",
      " 1.145033        3\n",
      " 0.651850        3\n",
      "              ... \n",
      " 1.056654        1\n",
      " 1.173396        1\n",
      " 1.127255        1\n",
      " 1.192304        1\n",
      " 14.296753       1\n",
      "Name: SHBint6, Length: 865, dtype: int64\n",
      "SHBint7 的特征分布：\n",
      "0.000000    1286\n",
      "3.170088       4\n",
      "3.155698       3\n",
      "3.343047       3\n",
      "3.358891       3\n",
      "            ... \n",
      "5.016424       1\n",
      "5.079801       1\n",
      "2.829868       1\n",
      "4.441266       1\n",
      "6.423406       1\n",
      "Name: SHBint7, Length: 628, dtype: int64\n",
      "SHBint8 的特征分布：\n",
      "0.000000     1447\n",
      "2.852007        4\n",
      "4.378872        3\n",
      "2.834854        3\n",
      "6.075392        3\n",
      "             ... \n",
      "31.202244       1\n",
      "6.739966        1\n",
      "6.734373        1\n",
      "5.582807        1\n",
      "3.315003        1\n",
      "Name: SHBint8, Length: 491, dtype: int64\n",
      "SHBint9 的特征分布：\n",
      "0.000000     1490\n",
      "9.332235        6\n",
      "1.201758        3\n",
      "0.956792        3\n",
      "1.645000        3\n",
      "             ... \n",
      "0.305246        1\n",
      "0.636979        1\n",
      "8.365064        1\n",
      "3.134322        1\n",
      "16.832378       1\n",
      "Name: SHBint9, Length: 457, dtype: int64\n",
      "SHBint10 的特征分布：\n",
      "0.000000     990\n",
      "2.771615       6\n",
      "2.844337       4\n",
      "21.033115      3\n",
      "9.793012       3\n",
      "            ... \n",
      "10.996599      1\n",
      "10.471476      1\n",
      "11.042190      1\n",
      "11.038027      1\n",
      "23.334095      1\n",
      "Name: SHBint10, Length: 903, dtype: int64\n",
      "SHsOH 的特征分布：\n",
      "0.000000    426\n",
      "0.924225      7\n",
      "0.997247      6\n",
      "0.991074      5\n",
      "0.996499      5\n",
      "           ... \n",
      "1.179248      1\n",
      "1.144214      1\n",
      "1.120394      1\n",
      "0.997993      1\n",
      "2.118206      1\n",
      "Name: SHsOH, Length: 1386, dtype: int64\n",
      "SHdNH 的特征分布：\n",
      "0.000000    1959\n",
      "1.064837       2\n",
      "0.651932       1\n",
      "0.663650       1\n",
      "0.642672       1\n",
      "0.566592       1\n",
      "0.572451       1\n",
      "0.412760       1\n",
      "0.491195       1\n",
      "0.565717       1\n",
      "4.024783       1\n",
      "1.090130       1\n",
      "1.075630       1\n",
      "1.054596       1\n",
      "0.508833       1\n",
      "Name: SHdNH, dtype: int64\n",
      "SHsSH 的特征分布：\n",
      "0.000000    1973\n",
      "0.613979       1\n",
      "Name: SHsSH, dtype: int64\n",
      "SHsNH2 的特征分布：\n",
      "0.000000    1924\n",
      "2.584290       2\n",
      "0.515524       1\n",
      "0.433970       1\n",
      "0.544862       1\n",
      "0.488193       1\n",
      "0.529005       1\n",
      "0.619184       1\n",
      "0.640419       1\n",
      "0.532934       1\n",
      "0.557076       1\n",
      "0.516051       1\n",
      "0.437067       1\n",
      "6.156436       1\n",
      "0.526883       1\n",
      "2.078956       1\n",
      "2.601883       1\n",
      "2.554997       1\n",
      "2.409828       1\n",
      "0.607592       1\n",
      "0.473752       1\n",
      "0.448805       1\n",
      "0.472744       1\n",
      "0.622583       1\n",
      "0.529436       1\n",
      "0.591273       1\n",
      "0.512422       1\n",
      "0.491608       1\n",
      "0.651295       1\n",
      "0.504946       1\n",
      "0.555078       1\n",
      "0.484679       1\n",
      "0.561281       1\n",
      "0.569420       1\n",
      "0.615496       1\n",
      "0.623309       1\n",
      "0.609323       1\n",
      "0.552937       1\n",
      "0.452929       1\n",
      "0.569963       1\n",
      "0.531027       1\n",
      "0.568350       1\n",
      "0.505073       1\n",
      "0.538143       1\n",
      "0.554927       1\n",
      "0.552944       1\n",
      "0.353140       1\n",
      "0.452743       1\n",
      "0.443891       1\n",
      "0.459118       1\n",
      "Name: SHsNH2, dtype: int64\n",
      "SHssNH 的特征分布：\n",
      "0.000000    1639\n",
      "0.274419       3\n",
      "0.336356       2\n",
      "0.627881       2\n",
      "0.619398       2\n",
      "            ... \n",
      "0.459753       1\n",
      "0.464041       1\n",
      "0.456740       1\n",
      "0.860542       1\n",
      "2.414305       1\n",
      "Name: SHssNH, Length: 319, dtype: int64\n",
      "SHaaNH 的特征分布：\n",
      "0.000000    1831\n",
      "0.302993       3\n",
      "0.540371       3\n",
      "0.529199       3\n",
      "0.535371       2\n",
      "            ... \n",
      "0.461376       1\n",
      "0.491656       1\n",
      "0.579353       1\n",
      "0.536143       1\n",
      "0.374312       1\n",
      "Name: SHaaNH, Length: 130, dtype: int64\n",
      "SHsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: SHsNH3p, dtype: int64\n",
      "SHssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: SHssNH2p, dtype: int64\n",
      "SHsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: SHsssNHp, dtype: int64\n",
      "SHtCH 的特征分布：\n",
      "0.000000    1957\n",
      "0.447784       2\n",
      "0.393295       1\n",
      "0.460564       1\n",
      "0.455766       1\n",
      "0.450028       1\n",
      "0.540406       1\n",
      "0.445406       1\n",
      "0.463523       1\n",
      "0.438547       1\n",
      "0.630462       1\n",
      "0.610774       1\n",
      "0.598428       1\n",
      "0.586082       1\n",
      "0.591471       1\n",
      "0.584539       1\n",
      "0.449360       1\n",
      "Name: SHtCH, dtype: int64\n",
      "SHdCH2 的特征分布：\n",
      "0.000000    1928\n",
      "0.322751       2\n",
      "0.478138       2\n",
      "0.331423       2\n",
      "0.548853       2\n",
      "0.325837       2\n",
      "0.327960       1\n",
      "0.489413       1\n",
      "0.497865       1\n",
      "0.514451       1\n",
      "0.526797       1\n",
      "0.340273       1\n",
      "0.321869       1\n",
      "0.319287       1\n",
      "0.484123       1\n",
      "0.318467       1\n",
      "0.322373       1\n",
      "0.320735       1\n",
      "0.381030       1\n",
      "0.515866       1\n",
      "0.479398       1\n",
      "0.483612       1\n",
      "0.448878       1\n",
      "0.464140       1\n",
      "0.434661       1\n",
      "0.515522       1\n",
      "0.473774       1\n",
      "0.484105       1\n",
      "0.486274       1\n",
      "0.520921       1\n",
      "0.533421       1\n",
      "0.536353       1\n",
      "0.551785       1\n",
      "0.517834       1\n",
      "0.527374       1\n",
      "0.488238       1\n",
      "0.489532       1\n",
      "0.486695       1\n",
      "0.502127       1\n",
      "0.340558       1\n",
      "0.476088       1\n",
      "0.355143       1\n",
      "Name: SHdCH2, dtype: int64\n",
      "SHdsCH 的特征分布：\n",
      "0.000000    1536\n",
      "1.181876       4\n",
      "1.286766       3\n",
      "0.680611       3\n",
      "1.266773       3\n",
      "            ... \n",
      "0.617071       1\n",
      "0.317530       1\n",
      "1.197811       1\n",
      "1.173545       1\n",
      "1.074148       1\n",
      "Name: SHdsCH, Length: 401, dtype: int64\n",
      "SHaaCH 的特征分布：\n",
      "0.000000    57\n",
      "5.804976     7\n",
      "5.544792     6\n",
      "5.526379     5\n",
      "5.536339     4\n",
      "            ..\n",
      "2.275819     1\n",
      "2.305217     1\n",
      "2.339833     1\n",
      "1.668184     1\n",
      "8.469362     1\n",
      "Name: SHaaCH, Length: 1788, dtype: int64\n",
      "SHCHnX 的特征分布：\n",
      "0.000000    1935\n",
      "1.287119       3\n",
      "0.257164       2\n",
      "0.691961       2\n",
      "0.638337       2\n",
      "0.738836       2\n",
      "2.078840       1\n",
      "0.670571       1\n",
      "0.660794       1\n",
      "0.672301       1\n",
      "0.599097       1\n",
      "0.864382       1\n",
      "1.239382       1\n",
      "0.667110       1\n",
      "1.137867       1\n",
      "1.092678       1\n",
      "0.717678       1\n",
      "0.661825       1\n",
      "1.292900       1\n",
      "0.707367       1\n",
      "1.253005       1\n",
      "1.356535       1\n",
      "1.350019       1\n",
      "0.554833       1\n",
      "0.353444       1\n",
      "0.396008       1\n",
      "0.336505       1\n",
      "0.251763       1\n",
      "0.462279       1\n",
      "0.446846       1\n",
      "0.845921       1\n",
      "0.528279       1\n",
      "0.667769       1\n",
      "0.667484       1\n",
      "Name: SHCHnX, dtype: int64\n",
      "SHCsats 的特征分布：\n",
      "0.000000    607\n",
      "4.512996      8\n",
      "4.500103      8\n",
      "3.428296      8\n",
      "1.506485      6\n",
      "           ... \n",
      "2.344361      1\n",
      "3.000933      1\n",
      "3.835348      1\n",
      "3.724302      1\n",
      "3.373220      1\n",
      "Name: SHCsats, Length: 1147, dtype: int64\n",
      "SHCsatu 的特征分布：\n",
      "0.000000    1218\n",
      "1.526533      20\n",
      "0.970931      19\n",
      "1.680798      16\n",
      "1.009356      12\n",
      "            ... \n",
      "0.550999       1\n",
      "1.261180       1\n",
      "0.753086       1\n",
      "1.283500       1\n",
      "0.836726       1\n",
      "Name: SHCsatu, Length: 509, dtype: int64\n",
      "SHAvin 的特征分布：\n",
      "0.000000    1668\n",
      "0.546942       4\n",
      "0.592902       3\n",
      "0.605535       3\n",
      "0.586004       3\n",
      "            ... \n",
      "0.663639       1\n",
      "0.609463       1\n",
      "0.558162       1\n",
      "0.565662       1\n",
      "1.074148       1\n",
      "Name: SHAvin, Length: 285, dtype: int64\n",
      "SHother 的特征分布：\n",
      "0.000000    12\n",
      "5.804976     7\n",
      "5.544792     6\n",
      "5.526379     5\n",
      "6.059973     4\n",
      "            ..\n",
      "2.482872     1\n",
      "2.275819     1\n",
      "2.305217     1\n",
      "2.339833     1\n",
      "9.543510     1\n",
      "Name: SHother, Length: 1825, dtype: int64\n",
      "SHmisc 的特征分布：\n",
      "0    1974\n",
      "Name: SHmisc, dtype: int64\n",
      "SsLi 的特征分布：\n",
      "0    1974\n",
      "Name: SsLi, dtype: int64\n",
      "SssBe 的特征分布：\n",
      "0    1974\n",
      "Name: SssBe, dtype: int64\n",
      "SssssBem 的特征分布：\n",
      "0    1974\n",
      "Name: SssssBem, dtype: int64\n",
      "SsBH2 的特征分布：\n",
      "0    1974\n",
      "Name: SsBH2, dtype: int64\n",
      "SssBH 的特征分布：\n",
      "0    1974\n",
      "Name: SssBH, dtype: int64\n",
      "SsssB 的特征分布：\n",
      "0    1974\n",
      "Name: SsssB, dtype: int64\n",
      "SssssBm 的特征分布：\n",
      "0    1974\n",
      "Name: SssssBm, dtype: int64\n",
      "SsCH3 的特征分布：\n",
      "0.000000    719\n",
      "6.569316      6\n",
      "4.491096      3\n",
      "4.655761      3\n",
      "4.171495      3\n",
      "           ... \n",
      "4.407346      1\n",
      "4.345214      1\n",
      "4.232280      1\n",
      "1.884588      1\n",
      "3.179535      1\n",
      "Name: SsCH3, Length: 1181, dtype: int64\n",
      "SdCH2 的特征分布：\n",
      "0.000000    1928\n",
      "4.235104       2\n",
      "4.218931       2\n",
      "4.221456       2\n",
      "3.581417       2\n",
      "4.287183       1\n",
      "3.851637       1\n",
      "3.590638       1\n",
      "3.541255       1\n",
      "4.205037       1\n",
      "4.271305       1\n",
      "4.287477       1\n",
      "4.299659       1\n",
      "3.785043       1\n",
      "4.273830       1\n",
      "4.244179       1\n",
      "3.694375       1\n",
      "3.720156       1\n",
      "3.963906       1\n",
      "3.590397       1\n",
      "3.733197       1\n",
      "3.790402       1\n",
      "3.689735       1\n",
      "3.832560       1\n",
      "3.816592       1\n",
      "3.701376       1\n",
      "3.695624       1\n",
      "3.657635       1\n",
      "3.649739       1\n",
      "3.683822       1\n",
      "3.637937       1\n",
      "3.627302       1\n",
      "3.570782       1\n",
      "3.686690       1\n",
      "3.851505       1\n",
      "3.781469       1\n",
      "3.746123       1\n",
      "3.810211       1\n",
      "3.753691       1\n",
      "4.059714       1\n",
      "3.624876       1\n",
      "3.784931       1\n",
      "4.071256       1\n",
      "Name: SdCH2, dtype: int64\n",
      "SssCH2 的特征分布：\n",
      "0.000000    503\n",
      "4.213969      7\n",
      "0.255333      3\n",
      "8.127988      3\n",
      "7.807307      3\n",
      "           ... \n",
      "5.491799      1\n",
      "4.200696      1\n",
      "2.729255      1\n",
      "6.456876      1\n",
      "0.265626      1\n",
      "Name: SssCH2, Length: 1361, dtype: int64\n",
      "StCH 的特征分布：\n",
      "0.000000    1957\n",
      "5.746038       2\n",
      "6.076624       1\n",
      "5.722917       1\n",
      "5.703158       1\n",
      "5.775264       1\n",
      "5.699071       1\n",
      "5.766061       1\n",
      "5.693722       1\n",
      "5.792759       1\n",
      "5.370658       1\n",
      "5.449313       1\n",
      "5.493487       1\n",
      "5.537661       1\n",
      "5.463367       1\n",
      "5.521265       1\n",
      "5.737601       1\n",
      "Name: StCH, dtype: int64\n",
      "SdsCH 的特征分布：\n",
      "0.000000    1536\n",
      "2.275238       3\n",
      "2.440060       3\n",
      "7.181336       3\n",
      "2.463528       3\n",
      "            ... \n",
      "0.541329       1\n",
      "1.817515       1\n",
      "1.697377       1\n",
      "1.441738       1\n",
      "3.490956       1\n",
      "Name: SdsCH, Length: 410, dtype: int64\n",
      "SaaCH 的特征分布：\n",
      "0.000000     57\n",
      "20.477875     6\n",
      "18.556410     4\n",
      "4.234370      3\n",
      "5.710391      3\n",
      "             ..\n",
      "5.259814      1\n",
      "3.431865      1\n",
      "7.126914      1\n",
      "7.016090      1\n",
      "24.242840     1\n",
      "Name: SaaCH, Length: 1812, dtype: int64\n",
      "SsssCH 的特征分布：\n",
      " 0.000000    1197\n",
      " 0.795026       7\n",
      " 0.196276       4\n",
      " 1.706424       3\n",
      "-0.387321       3\n",
      "             ... \n",
      "-0.092500       1\n",
      "-0.143426       1\n",
      "-0.144630       1\n",
      "-0.098333       1\n",
      "-1.961446       1\n",
      "Name: SsssCH, Length: 672, dtype: int64\n",
      "SddC 的特征分布：\n",
      "0    1974\n",
      "Name: SddC, dtype: int64\n",
      "StsC 的特征分布：\n",
      "0.000000    1872\n",
      "2.433315       2\n",
      "2.748062       2\n",
      "2.156174       1\n",
      "2.012492       1\n",
      "            ... \n",
      "3.890707       1\n",
      "2.089096       1\n",
      "2.035897       1\n",
      "2.098590       1\n",
      "2.182927       1\n",
      "Name: StsC, Length: 101, dtype: int64\n",
      "SdssC 的特征分布：\n",
      " 0.000000    755\n",
      " 1.968691      6\n",
      " 2.345477      4\n",
      " 2.324144      4\n",
      " 2.267717      4\n",
      "            ... \n",
      " 4.598894      1\n",
      "-0.915480      1\n",
      " 2.577251      1\n",
      " 2.391038      1\n",
      " 1.621777      1\n",
      "Name: SdssC, Length: 1123, dtype: int64\n",
      "SaasC 的特征分布：\n",
      "0.000000    53\n",
      "4.694687     6\n",
      "4.005175     3\n",
      "2.857742     3\n",
      "5.850687     3\n",
      "            ..\n",
      "3.663404     1\n",
      "4.325721     1\n",
      "4.301786     1\n",
      "1.301707     1\n",
      "3.339952     1\n",
      "Name: SaasC, Length: 1828, dtype: int64\n",
      "SaaaC 的特征分布：\n",
      "0.000000    1273\n",
      "2.127575       3\n",
      "1.624957       3\n",
      "1.966437       3\n",
      "1.987212       3\n",
      "            ... \n",
      "2.302288       1\n",
      "2.180477       1\n",
      "2.442370       1\n",
      "2.045861       1\n",
      "1.660156       1\n",
      "Name: SaaaC, Length: 649, dtype: int64\n",
      "SssssC 的特征分布：\n",
      " 0.000000    1538\n",
      "-1.768182       3\n",
      "-0.434848       3\n",
      " 0.350772       3\n",
      " 0.201435       3\n",
      "             ... \n",
      " 0.056782       1\n",
      " 0.039228       1\n",
      " 0.190977       1\n",
      " 0.183176       1\n",
      "-4.650612       1\n",
      "Name: SssssC, Length: 404, dtype: int64\n",
      "SsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: SsNH3p, dtype: int64\n",
      "SsNH2 的特征分布：\n",
      "0.000000     1924\n",
      "27.786765       2\n",
      "5.880982        1\n",
      "6.667317        1\n",
      "6.052978        1\n",
      "6.438421        1\n",
      "6.338174        1\n",
      "5.323545        1\n",
      "5.552415        1\n",
      "5.652540        1\n",
      "6.115033        1\n",
      "5.648272        1\n",
      "5.964499        1\n",
      "67.442453       1\n",
      "5.424039        1\n",
      "22.022141       1\n",
      "27.733887       1\n",
      "27.886225       1\n",
      "28.102828       1\n",
      "5.112182        1\n",
      "5.906531        1\n",
      "5.474609        1\n",
      "5.433361        1\n",
      "5.130724        1\n",
      "6.062756        1\n",
      "5.930651        1\n",
      "5.714824        1\n",
      "6.506544        1\n",
      "5.245658        1\n",
      "5.832327        1\n",
      "5.775624        1\n",
      "5.901230        1\n",
      "6.050973        1\n",
      "6.019029        1\n",
      "5.171865        1\n",
      "5.118483        1\n",
      "5.202729        1\n",
      "5.726553        1\n",
      "5.920586        1\n",
      "5.548165        1\n",
      "6.328082        1\n",
      "5.504275        1\n",
      "5.792351        1\n",
      "6.254872        1\n",
      "5.799806        1\n",
      "6.136562        1\n",
      "6.341828        1\n",
      "5.674439        1\n",
      "6.241689        1\n",
      "5.561610        1\n",
      "Name: SsNH2, dtype: int64\n",
      "SssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: SssNH2p, dtype: int64\n",
      "SdNH 的特征分布：\n",
      "0.000000     1959\n",
      "14.945916       2\n",
      "7.026123        1\n",
      "6.957116        1\n",
      "7.069333        1\n",
      "7.436361        1\n",
      "7.415886        1\n",
      "8.781421        1\n",
      "8.343041        1\n",
      "7.441674        1\n",
      "61.488676       1\n",
      "14.779697       1\n",
      "14.900808       1\n",
      "14.980690       1\n",
      "7.601595        1\n",
      "Name: SdNH, dtype: int64\n",
      "SssNH 的特征分布：\n",
      "0.000000    1639\n",
      "3.140970       3\n",
      "6.896169       2\n",
      "6.795478       2\n",
      "6.727700       2\n",
      "            ... \n",
      "2.971295       1\n",
      "2.959434       1\n",
      "5.822702       1\n",
      "6.764601       1\n",
      "9.393419       1\n",
      "Name: SssNH, Length: 325, dtype: int64\n",
      "SaaNH 的特征分布：\n",
      "0.000000    1831\n",
      "3.489931       3\n",
      "2.950987       3\n",
      "2.976145       3\n",
      "3.062098       2\n",
      "            ... \n",
      "3.006403       1\n",
      "3.030096       1\n",
      "2.933248       1\n",
      "3.099922       1\n",
      "3.434846       1\n",
      "Name: SaaNH, Length: 132, dtype: int64\n",
      "StN 的特征分布：\n",
      "0.000000     1895\n",
      "10.020969       2\n",
      "9.349060        1\n",
      "9.317795        1\n",
      "9.019996        1\n",
      "             ... \n",
      "9.147856        1\n",
      "9.163741        1\n",
      "9.231374        1\n",
      "9.221446        1\n",
      "9.229602        1\n",
      "Name: StN, Length: 79, dtype: int64\n",
      "SsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: SsssNHp, dtype: int64\n",
      "SdsN 的特征分布：\n",
      "0.000000    1850\n",
      "4.526679       1\n",
      "4.399309       1\n",
      "4.343387       1\n",
      "4.648952       1\n",
      "            ... \n",
      "4.031036       1\n",
      "4.083001       1\n",
      "4.237373       1\n",
      "4.355428       1\n",
      "4.803363       1\n",
      "Name: SdsN, Length: 125, dtype: int64\n",
      "SaaN 的特征分布：\n",
      "0.000000    1497\n",
      "8.293602       3\n",
      "8.211284       3\n",
      "4.095539       2\n",
      "4.200442       2\n",
      "            ... \n",
      "3.708686       1\n",
      "4.469039       1\n",
      "4.437831       1\n",
      "3.915771       1\n",
      "4.460040       1\n",
      "Name: SaaN, Length: 454, dtype: int64\n",
      "SsssN 的特征分布：\n",
      "0.000000    1093\n",
      "2.499274       7\n",
      "2.568939       4\n",
      "2.502967       4\n",
      "2.471717       4\n",
      "            ... \n",
      "1.198460       1\n",
      "1.298729       1\n",
      "1.631909       1\n",
      "1.655080       1\n",
      "2.487796       1\n",
      "Name: SsssN, Length: 792, dtype: int64\n",
      "SddsN 的特征分布：\n",
      "0    1974\n",
      "Name: SddsN, dtype: int64\n",
      "SaasN 的特征分布：\n",
      "0.000000    1783\n",
      "2.283422       2\n",
      "2.329332       2\n",
      "2.262296       1\n",
      "2.352837       1\n",
      "            ... \n",
      "1.745510       1\n",
      "1.413583       1\n",
      "2.199933       1\n",
      "1.969333       1\n",
      "2.017170       1\n",
      "Name: SaasN, Length: 190, dtype: int64\n",
      "SssssNp 的特征分布：\n",
      "0.00000    1973\n",
      "0.86878       1\n",
      "Name: SssssNp, dtype: int64\n",
      "SsOH 的特征分布：\n",
      "0.000000     426\n",
      "20.193152      6\n",
      "18.972022      3\n",
      "18.896736      3\n",
      "19.277377      3\n",
      "            ... \n",
      "10.046438      1\n",
      "10.043957      1\n",
      "10.026110      1\n",
      "10.068461      1\n",
      "38.871608      1\n",
      "Name: SsOH, Length: 1436, dtype: int64\n",
      "SdO 的特征分布：\n",
      "0.000000     924\n",
      "10.844790      3\n",
      "12.180667      3\n",
      "12.845989      3\n",
      "10.854652      3\n",
      "            ... \n",
      "12.473808      1\n",
      "12.446283      1\n",
      "10.705579      1\n",
      "12.834391      1\n",
      "27.318633      1\n",
      "Name: SdO, Length: 1006, dtype: int64\n",
      "SssO 的特征分布：\n",
      "0.000000     934\n",
      "12.588010      6\n",
      "12.330152      3\n",
      "12.523175      3\n",
      "18.598658      3\n",
      "            ... \n",
      "5.820818       1\n",
      "12.538545      1\n",
      "12.485082      1\n",
      "12.416228      1\n",
      "11.949576      1\n",
      "Name: SssO, Length: 970, dtype: int64\n",
      "SaaO 的特征分布：\n",
      "0.000000    1689\n",
      "5.290931       2\n",
      "5.125770       2\n",
      "5.465924       2\n",
      "5.652097       2\n",
      "            ... \n",
      "5.059432       1\n",
      "5.181881       1\n",
      "5.197010       1\n",
      "5.275153       1\n",
      "6.368240       1\n",
      "Name: SaaO, Length: 277, dtype: int64\n",
      "SaOm 的特征分布：\n",
      "0    1974\n",
      "Name: SaOm, dtype: int64\n",
      "SsOm 的特征分布：\n",
      "0.000000     1956\n",
      "11.136087       1\n",
      "11.008185       1\n",
      "11.734672       1\n",
      "10.737937       1\n",
      "22.569367       1\n",
      "12.360911       1\n",
      "11.915749       1\n",
      "10.584585       1\n",
      "22.080272       1\n",
      "10.893715       1\n",
      "10.824798       1\n",
      "11.665950       1\n",
      "11.034928       1\n",
      "11.076231       1\n",
      "11.045915       1\n",
      "10.934930       1\n",
      "11.365685       1\n",
      "21.655525       1\n",
      "Name: SsOm, dtype: int64\n",
      "SsF 的特征分布：\n",
      "0.000000     1648\n",
      "30.684841       3\n",
      "46.089762       3\n",
      "14.962811       2\n",
      "14.171597       2\n",
      "             ... \n",
      "13.438277       1\n",
      "26.967603       1\n",
      "13.462968       1\n",
      "13.503285       1\n",
      "39.685425       1\n",
      "Name: SsF, Length: 315, dtype: int64\n",
      "SsSiH3 的特征分布：\n",
      "0    1974\n",
      "Name: SsSiH3, dtype: int64\n",
      "SssSiH2 的特征分布：\n",
      "0    1974\n",
      "Name: SssSiH2, dtype: int64\n",
      "SsssSiH 的特征分布：\n",
      "0    1974\n",
      "Name: SsssSiH, dtype: int64\n",
      "SssssSi 的特征分布：\n",
      "0    1974\n",
      "Name: SssssSi, dtype: int64\n",
      "SsPH2 的特征分布：\n",
      "0    1974\n",
      "Name: SsPH2, dtype: int64\n",
      "SssPH 的特征分布：\n",
      "0    1974\n",
      "Name: SssPH, dtype: int64\n",
      "SsssP 的特征分布：\n",
      "0    1974\n",
      "Name: SsssP, dtype: int64\n",
      "SdsssP 的特征分布：\n",
      " 0.000000    1972\n",
      "-5.762709       1\n",
      "-5.751474       1\n",
      "Name: SdsssP, dtype: int64\n",
      "SddsP 的特征分布：\n",
      "0    1974\n",
      "Name: SddsP, dtype: int64\n",
      "SsssssP 的特征分布：\n",
      "0    1974\n",
      "Name: SsssssP, dtype: int64\n",
      "SsSH 的特征分布：\n",
      "0.00000    1973\n",
      "0.30156       1\n",
      "Name: SsSH, dtype: int64\n",
      "SdS 的特征分布：\n",
      "0.000000    1941\n",
      "0.455603       1\n",
      "0.488484       1\n",
      "0.456076       1\n",
      "0.480675       1\n",
      "0.428540       1\n",
      "0.451855       1\n",
      "0.437531       1\n",
      "0.369020       1\n",
      "0.375617       1\n",
      "0.473384       1\n",
      "0.431362       1\n",
      "0.483055       1\n",
      "0.444105       1\n",
      "0.474563       1\n",
      "0.321507       1\n",
      "0.493075       1\n",
      "0.472448       1\n",
      "0.174980       1\n",
      "0.491639       1\n",
      "0.869272       1\n",
      "0.385327       1\n",
      "0.330474       1\n",
      "0.903524       1\n",
      "0.452047       1\n",
      "0.147002       1\n",
      "0.248066       1\n",
      "0.370515       1\n",
      "0.535617       1\n",
      "0.536069       1\n",
      "0.335617       1\n",
      "0.392654       1\n",
      "0.247844       1\n",
      "0.441645       1\n",
      "Name: SdS, dtype: int64\n",
      "SssS 的特征分布：\n",
      " 0.000000    1753\n",
      "-1.608354       3\n",
      "-1.615830       3\n",
      "-1.613376       2\n",
      "-1.508392       2\n",
      "             ... \n",
      "-1.146813       1\n",
      "-1.606124       1\n",
      "-1.606381       1\n",
      "-1.604008       1\n",
      "-1.178306       1\n",
      "Name: SssS, Length: 202, dtype: int64\n",
      "SaaS 的特征分布：\n",
      " 0.000000    1787\n",
      "-1.773368       2\n",
      "-1.770516       2\n",
      "-2.588715       1\n",
      "-1.478193       1\n",
      "             ... \n",
      "-1.038173       1\n",
      "-2.479062       1\n",
      "-1.190856       1\n",
      "-2.217884       1\n",
      "-1.399058       1\n",
      "Name: SaaS, Length: 186, dtype: int64\n",
      "SdssS 的特征分布：\n",
      " 0.000000    1973\n",
      "-3.339572       1\n",
      "Name: SdssS, dtype: int64\n",
      "SddssS 的特征分布：\n",
      " 0.000000    1851\n",
      "-5.438526       2\n",
      "-5.978139       2\n",
      "-5.779142       2\n",
      "-4.768511       1\n",
      "             ... \n",
      "-6.028156       1\n",
      "-5.484730       1\n",
      "-5.564010       1\n",
      "-5.458557       1\n",
      "-5.993028       1\n",
      "Name: SddssS, Length: 121, dtype: int64\n",
      "SssssssS 的特征分布：\n",
      "0    1974\n",
      "Name: SssssssS, dtype: int64\n",
      "SSm 的特征分布：\n",
      "0    1974\n",
      "Name: SSm, dtype: int64\n",
      "SsCl 的特征分布：\n",
      "0.000000    1801\n",
      "0.930356       2\n",
      "0.568272       2\n",
      "0.705641       1\n",
      "0.647682       1\n",
      "            ... \n",
      "0.604552       1\n",
      "0.624708       1\n",
      "0.874288       1\n",
      "0.882240       1\n",
      "0.600303       1\n",
      "Name: SsCl, Length: 172, dtype: int64\n",
      "SsGeH3 的特征分布：\n",
      "0    1974\n",
      "Name: SsGeH3, dtype: int64\n",
      "SssGeH2 的特征分布：\n",
      "0    1974\n",
      "Name: SssGeH2, dtype: int64\n",
      "SsssGeH 的特征分布：\n",
      "0    1974\n",
      "Name: SsssGeH, dtype: int64\n",
      "SssssGe 的特征分布：\n",
      "0    1974\n",
      "Name: SssssGe, dtype: int64\n",
      "SsAsH2 的特征分布：\n",
      "0    1974\n",
      "Name: SsAsH2, dtype: int64\n",
      "SssAsH 的特征分布：\n",
      "0    1974\n",
      "Name: SssAsH, dtype: int64\n",
      "SsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: SsssAs, dtype: int64\n",
      "SdsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: SdsssAs, dtype: int64\n",
      "SddsAs 的特征分布：\n",
      "0    1974\n",
      "Name: SddsAs, dtype: int64\n",
      "SsssssAs 的特征分布：\n",
      "0    1974\n",
      "Name: SsssssAs, dtype: int64\n",
      "SsSeH 的特征分布：\n",
      "0    1974\n",
      "Name: SsSeH, dtype: int64\n",
      "SdSe 的特征分布：\n",
      "0    1974\n",
      "Name: SdSe, dtype: int64\n",
      "SssSe 的特征分布：\n",
      "0    1974\n",
      "Name: SssSe, dtype: int64\n",
      "SaaSe 的特征分布：\n",
      "0    1974\n",
      "Name: SaaSe, dtype: int64\n",
      "SdssSe 的特征分布：\n",
      "0    1974\n",
      "Name: SdssSe, dtype: int64\n",
      "SssssssSe 的特征分布：\n",
      "0    1974\n",
      "Name: SssssssSe, dtype: int64\n",
      "SddssSe 的特征分布：\n",
      "0    1974\n",
      "Name: SddssSe, dtype: int64\n",
      "SsBr 的特征分布：\n",
      " 0.000000    1859\n",
      " 0.042634       3\n",
      " 0.036849       2\n",
      "-0.034697       1\n",
      " 0.050627       1\n",
      "             ... \n",
      "-0.036512       1\n",
      "-0.011187       1\n",
      " 0.029790       1\n",
      "-0.083726       1\n",
      " 0.047215       1\n",
      "Name: SsBr, Length: 113, dtype: int64\n",
      "SsSnH3 的特征分布：\n",
      "0    1974\n",
      "Name: SsSnH3, dtype: int64\n",
      "SssSnH2 的特征分布：\n",
      "0    1974\n",
      "Name: SssSnH2, dtype: int64\n",
      "SsssSnH 的特征分布：\n",
      "0    1974\n",
      "Name: SsssSnH, dtype: int64\n",
      "SssssSn 的特征分布：\n",
      "0    1974\n",
      "Name: SssssSn, dtype: int64\n",
      "SsI 的特征分布：\n",
      " 0.000000    1970\n",
      "-0.040317       1\n",
      "-0.077034       1\n",
      "-0.059350       1\n",
      "-0.097058       1\n",
      "Name: SsI, dtype: int64\n",
      "SsPbH3 的特征分布：\n",
      "0    1974\n",
      "Name: SsPbH3, dtype: int64\n",
      "SssPbH2 的特征分布：\n",
      "0    1974\n",
      "Name: SssPbH2, dtype: int64\n",
      "SsssPbH 的特征分布：\n",
      "0    1974\n",
      "Name: SsssPbH, dtype: int64\n",
      "SssssPb 的特征分布：\n",
      "0    1974\n",
      "Name: SssssPb, dtype: int64\n",
      "minHBd 的特征分布：\n",
      "0.000000    125\n",
      "0.480713      8\n",
      "0.452864      8\n",
      "0.480339      7\n",
      "0.550233      5\n",
      "           ... \n",
      "0.551689      1\n",
      "0.475692      1\n",
      "0.435692      1\n",
      "0.523095      1\n",
      "0.507282      1\n",
      "Name: minHBd, Length: 1603, dtype: int64\n",
      "minwHBd 的特征分布：\n",
      "0.000000    1939\n",
      "1.287119       3\n",
      "0.638337       2\n",
      "0.691961       2\n",
      "0.738836       2\n",
      "0.257164       2\n",
      "1.092678       1\n",
      "0.661825       1\n",
      "0.667110       1\n",
      "0.672301       1\n",
      "0.686329       1\n",
      "0.670571       1\n",
      "0.660794       1\n",
      "0.864382       1\n",
      "1.239382       1\n",
      "0.667769       1\n",
      "1.137867       1\n",
      "0.717678       1\n",
      "0.336505       1\n",
      "0.845921       1\n",
      "0.707367       1\n",
      "0.599097       1\n",
      "1.292900       1\n",
      "1.253005       1\n",
      "1.356535       1\n",
      "1.350019       1\n",
      "0.554833       1\n",
      "0.353444       1\n",
      "0.396008       1\n",
      "0.667484       1\n",
      "Name: minwHBd, dtype: int64\n",
      "minHBa 的特征分布：\n",
      " 2.499274    7\n",
      " 2.976145    3\n",
      " 3.140970    3\n",
      "-1.615830    3\n",
      " 2.480755    3\n",
      "            ..\n",
      " 5.391176    1\n",
      " 5.254133    1\n",
      " 5.413669    1\n",
      " 5.531910    1\n",
      " 5.702148    1\n",
      "Name: minHBa, Length: 1842, dtype: int64\n",
      "minwHBa 的特征分布：\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      " 0.194006    6\n",
      " 0.139596    4\n",
      "-1.072710    3\n",
      " 0.023278    3\n",
      " 0.268495    3\n",
      "            ..\n",
      "-0.402729    1\n",
      "-0.328076    1\n",
      "-0.509630    1\n",
      "-0.525833    1\n",
      "-0.048992    1\n",
      "Name: minwHBa, Length: 1847, dtype: int64\n",
      "minHBint2 的特征分布：\n",
      "0.000000    1545\n",
      "7.606146       3\n",
      "7.350681       3\n",
      "7.473317       3\n",
      "7.433628       3\n",
      "            ... \n",
      "5.414904       1\n",
      "7.159422       1\n",
      "6.455195       1\n",
      "0.179875       1\n",
      "1.315401       1\n",
      "Name: minHBint2, Length: 408, dtype: int64\n",
      "minHBint3 的特征分布：\n",
      "0.000000    1567\n",
      "4.938403       2\n",
      "1.125620       2\n",
      "0.603276       2\n",
      "7.266939       2\n",
      "            ... \n",
      "1.085606       1\n",
      "8.236160       1\n",
      "7.659502       1\n",
      "8.307561       1\n",
      "2.771831       1\n",
      "Name: minHBint3, Length: 397, dtype: int64\n",
      "minHBint4 的特征分布：\n",
      " 0.000000    1142\n",
      " 2.928348       4\n",
      "-0.773156       3\n",
      " 2.913547       3\n",
      "-0.771763       3\n",
      "             ... \n",
      "-0.667916       1\n",
      "-0.733363       1\n",
      "-0.662692       1\n",
      "-0.727304       1\n",
      " 5.256808       1\n",
      "Name: minHBint4, Length: 778, dtype: int64\n",
      "minHBint5 的特征分布：\n",
      "0.000000    1261\n",
      "3.048675       6\n",
      "3.109818       3\n",
      "3.247680       3\n",
      "0.951692       3\n",
      "            ... \n",
      "7.701850       1\n",
      "0.402542       1\n",
      "0.366342       1\n",
      "5.691441       1\n",
      "3.143239       1\n",
      "Name: minHBint5, Length: 676, dtype: int64\n",
      "minHBint6 的特征分布：\n",
      " 0.000000    1063\n",
      " 2.929036       6\n",
      "-0.830769       3\n",
      "-0.829643       3\n",
      " 0.809980       3\n",
      "             ... \n",
      " 1.056654       1\n",
      " 1.173396       1\n",
      " 1.127255       1\n",
      " 1.192304       1\n",
      " 7.148376       1\n",
      "Name: minHBint6, Length: 864, dtype: int64\n",
      "minHBint7 的特征分布：\n",
      "0.000000    1286\n",
      "3.170088       4\n",
      "3.155698       3\n",
      "3.343047       3\n",
      "3.358891       3\n",
      "            ... \n",
      "1.984227       1\n",
      "1.949292       1\n",
      "2.829868       1\n",
      "4.441266       1\n",
      "3.184633       1\n",
      "Name: minHBint7, Length: 628, dtype: int64\n",
      "minHBint8 的特征分布：\n",
      "0.000000    1447\n",
      "2.852007       4\n",
      "1.800477       3\n",
      "2.834854       3\n",
      "6.075392       3\n",
      "            ... \n",
      "7.122688       1\n",
      "6.739966       1\n",
      "6.734373       1\n",
      "5.582807       1\n",
      "3.315003       1\n",
      "Name: minHBint8, Length: 491, dtype: int64\n",
      "minHBint9 的特征分布：\n",
      "0.000000    1490\n",
      "4.554477       6\n",
      "1.201758       3\n",
      "0.956792       3\n",
      "1.645000       3\n",
      "            ... \n",
      "0.305246       1\n",
      "0.318490       1\n",
      "8.365064       1\n",
      "3.134322       1\n",
      "2.906676       1\n",
      "Name: minHBint9, Length: 457, dtype: int64\n",
      "minHBint10 的特征分布：\n",
      "0.000000    990\n",
      "2.771615      6\n",
      "2.844337      4\n",
      "2.167995      3\n",
      "7.363620      3\n",
      "           ... \n",
      "4.783622      1\n",
      "5.170503      1\n",
      "4.495022      1\n",
      "5.325040      1\n",
      "2.956091      1\n",
      "Name: minHBint10, Length: 902, dtype: int64\n",
      "minHsOH 的特征分布：\n",
      "0.000000    426\n",
      "0.480713      8\n",
      "0.452864      8\n",
      "0.480339      7\n",
      "0.550233      5\n",
      "           ... \n",
      "0.532170      1\n",
      "0.449995      1\n",
      "0.474672      1\n",
      "0.460002      1\n",
      "0.507282      1\n",
      "Name: minHsOH, Length: 1315, dtype: int64\n",
      "minHdNH 的特征分布：\n",
      "0.000000    1959\n",
      "0.509643       2\n",
      "0.651932       1\n",
      "0.663650       1\n",
      "0.642672       1\n",
      "0.566592       1\n",
      "0.572451       1\n",
      "0.412760       1\n",
      "0.491195       1\n",
      "0.565717       1\n",
      "0.481479       1\n",
      "0.521784       1\n",
      "0.514186       1\n",
      "0.504522       1\n",
      "0.508833       1\n",
      "Name: minHdNH, dtype: int64\n",
      "minHsSH 的特征分布：\n",
      "0.000000    1973\n",
      "0.613979       1\n",
      "Name: minHsSH, dtype: int64\n",
      "minHsNH2 的特征分布：\n",
      "0.000000    1924\n",
      "0.385158       2\n",
      "0.515524       1\n",
      "0.433970       1\n",
      "0.544862       1\n",
      "0.488193       1\n",
      "0.529005       1\n",
      "0.619184       1\n",
      "0.640419       1\n",
      "0.532934       1\n",
      "0.557076       1\n",
      "0.516051       1\n",
      "0.437067       1\n",
      "0.353439       1\n",
      "0.526883       1\n",
      "0.395421       1\n",
      "0.395829       1\n",
      "0.370811       1\n",
      "0.359503       1\n",
      "0.607592       1\n",
      "0.473752       1\n",
      "0.448805       1\n",
      "0.472744       1\n",
      "0.622583       1\n",
      "0.529436       1\n",
      "0.591273       1\n",
      "0.512422       1\n",
      "0.491608       1\n",
      "0.651295       1\n",
      "0.504946       1\n",
      "0.555078       1\n",
      "0.484679       1\n",
      "0.561281       1\n",
      "0.569420       1\n",
      "0.615496       1\n",
      "0.623309       1\n",
      "0.609323       1\n",
      "0.552937       1\n",
      "0.452929       1\n",
      "0.569963       1\n",
      "0.531027       1\n",
      "0.568350       1\n",
      "0.505073       1\n",
      "0.538143       1\n",
      "0.554927       1\n",
      "0.552944       1\n",
      "0.353140       1\n",
      "0.452743       1\n",
      "0.443891       1\n",
      "0.459118       1\n",
      "Name: minHsNH2, dtype: int64\n",
      "minHssNH 的特征分布：\n",
      "0.000000    1639\n",
      "0.274419       3\n",
      "0.336356       2\n",
      "0.334362       2\n",
      "0.223456       2\n",
      "            ... \n",
      "0.459753       1\n",
      "0.464041       1\n",
      "0.456740       1\n",
      "0.368890       1\n",
      "0.591851       1\n",
      "Name: minHssNH, Length: 319, dtype: int64\n",
      "minHaaNH 的特征分布：\n",
      "0.000000    1831\n",
      "0.302993       3\n",
      "0.540371       3\n",
      "0.529199       3\n",
      "0.535371       2\n",
      "            ... \n",
      "0.461376       1\n",
      "0.491656       1\n",
      "0.579353       1\n",
      "0.536143       1\n",
      "0.374312       1\n",
      "Name: minHaaNH, Length: 130, dtype: int64\n",
      "minHsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: minHsNH3p, dtype: int64\n",
      "minHssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: minHssNH2p, dtype: int64\n",
      "minHsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: minHsssNHp, dtype: int64\n",
      "minHtCH 的特征分布：\n",
      "0.000000    1957\n",
      "0.447784       2\n",
      "0.393295       1\n",
      "0.460564       1\n",
      "0.455766       1\n",
      "0.450028       1\n",
      "0.540406       1\n",
      "0.445406       1\n",
      "0.463523       1\n",
      "0.438547       1\n",
      "0.630462       1\n",
      "0.610774       1\n",
      "0.598428       1\n",
      "0.586082       1\n",
      "0.591471       1\n",
      "0.584539       1\n",
      "0.449360       1\n",
      "Name: minHtCH, dtype: int64\n",
      "minHdCH2 的特征分布：\n",
      "0.000000    1928\n",
      "0.322751       2\n",
      "0.478138       2\n",
      "0.331423       2\n",
      "0.548853       2\n",
      "0.325837       2\n",
      "0.327960       1\n",
      "0.489413       1\n",
      "0.497865       1\n",
      "0.514451       1\n",
      "0.526797       1\n",
      "0.340273       1\n",
      "0.321869       1\n",
      "0.319287       1\n",
      "0.484123       1\n",
      "0.318467       1\n",
      "0.322373       1\n",
      "0.320735       1\n",
      "0.381030       1\n",
      "0.515866       1\n",
      "0.479398       1\n",
      "0.483612       1\n",
      "0.448878       1\n",
      "0.464140       1\n",
      "0.434661       1\n",
      "0.515522       1\n",
      "0.473774       1\n",
      "0.484105       1\n",
      "0.486274       1\n",
      "0.520921       1\n",
      "0.533421       1\n",
      "0.536353       1\n",
      "0.551785       1\n",
      "0.517834       1\n",
      "0.527374       1\n",
      "0.488238       1\n",
      "0.489532       1\n",
      "0.486695       1\n",
      "0.502127       1\n",
      "0.340558       1\n",
      "0.476088       1\n",
      "0.355143       1\n",
      "Name: minHdCH2, dtype: int64\n",
      "minHdsCH 的特征分布：\n",
      "0.000000    1536\n",
      "0.546942       4\n",
      "0.203570       3\n",
      "0.736139       3\n",
      "0.205024       3\n",
      "            ... \n",
      "0.599107       1\n",
      "0.564382       1\n",
      "0.370784       1\n",
      "0.389065       1\n",
      "0.532273       1\n",
      "Name: minHdsCH, Length: 396, dtype: int64\n",
      "minHaaCH 的特征分布：\n",
      "0.000000    57\n",
      "0.494166     7\n",
      "0.470115     6\n",
      "0.469004     5\n",
      "0.390563     5\n",
      "            ..\n",
      "0.558292     1\n",
      "0.560135     1\n",
      "0.603548     1\n",
      "0.593548     1\n",
      "0.528503     1\n",
      "Name: minHaaCH, Length: 1742, dtype: int64\n",
      "minHCHnX 的特征分布：\n",
      "0.000000    1935\n",
      "1.287119       3\n",
      "0.257164       2\n",
      "0.691961       2\n",
      "0.638337       2\n",
      "0.738836       2\n",
      "0.686329       1\n",
      "0.670571       1\n",
      "0.660794       1\n",
      "0.672301       1\n",
      "0.599097       1\n",
      "0.864382       1\n",
      "1.239382       1\n",
      "0.667110       1\n",
      "1.137867       1\n",
      "1.092678       1\n",
      "0.717678       1\n",
      "0.661825       1\n",
      "1.292900       1\n",
      "0.707367       1\n",
      "1.253005       1\n",
      "1.356535       1\n",
      "1.350019       1\n",
      "0.554833       1\n",
      "0.353444       1\n",
      "0.396008       1\n",
      "0.336505       1\n",
      "0.251763       1\n",
      "0.462279       1\n",
      "0.446846       1\n",
      "0.845921       1\n",
      "0.528279       1\n",
      "0.667769       1\n",
      "0.667484       1\n",
      "Name: minHCHnX, dtype: int64\n",
      "minHCsats 的特征分布：\n",
      "0.000000    607\n",
      "0.291887     19\n",
      "0.292769     17\n",
      "0.332367     14\n",
      "0.296654     14\n",
      "           ... \n",
      "0.298493      1\n",
      "0.328007      1\n",
      "0.321931      1\n",
      "0.335000      1\n",
      "0.518113      1\n",
      "Name: minHCsats, Length: 977, dtype: int64\n",
      "minHCsatu 的特征分布：\n",
      "0.000000    1218\n",
      "0.572869      19\n",
      "0.466421      19\n",
      "0.687133      16\n",
      "0.666725      14\n",
      "            ... \n",
      "0.912846       1\n",
      "0.550999       1\n",
      "0.630590       1\n",
      "0.753086       1\n",
      "0.511801       1\n",
      "Name: minHCsatu, Length: 508, dtype: int64\n",
      "minHAvin 的特征分布：\n",
      "0.000000    1668\n",
      "0.546942       4\n",
      "0.592902       3\n",
      "0.605535       3\n",
      "0.586004       3\n",
      "            ... \n",
      "0.663639       1\n",
      "0.609463       1\n",
      "0.558162       1\n",
      "0.565662       1\n",
      "0.532273       1\n",
      "Name: minHAvin, Length: 285, dtype: int64\n",
      "minHother 的特征分布：\n",
      "0.000000    12\n",
      "0.494166     7\n",
      "0.470115     6\n",
      "0.390563     5\n",
      "0.469004     5\n",
      "            ..\n",
      "0.543111     1\n",
      "0.595141     1\n",
      "0.558292     1\n",
      "0.560135     1\n",
      "0.528503     1\n",
      "Name: minHother, Length: 1777, dtype: int64\n",
      "minHmisc 的特征分布：\n",
      "0    1974\n",
      "Name: minHmisc, dtype: int64\n",
      "minsLi 的特征分布：\n",
      "0    1974\n",
      "Name: minsLi, dtype: int64\n",
      "minssBe 的特征分布：\n",
      "0    1974\n",
      "Name: minssBe, dtype: int64\n",
      "minssssBem 的特征分布：\n",
      "0    1974\n",
      "Name: minssssBem, dtype: int64\n",
      "minsBH2 的特征分布：\n",
      "0    1974\n",
      "Name: minsBH2, dtype: int64\n",
      "minssBH 的特征分布：\n",
      "0    1974\n",
      "Name: minssBH, dtype: int64\n",
      "minsssB 的特征分布：\n",
      "0    1974\n",
      "Name: minsssB, dtype: int64\n",
      "minssssBm 的特征分布：\n",
      "0    1974\n",
      "Name: minssssBm, dtype: int64\n",
      "minsCH3 的特征分布：\n",
      "0.000000    719\n",
      "2.032992      6\n",
      "2.231662      3\n",
      "2.327880      3\n",
      "2.146114      3\n",
      "           ... \n",
      "2.013508      1\n",
      "2.248061      1\n",
      "2.160353      1\n",
      "2.106035      1\n",
      "1.589768      1\n",
      "Name: minsCH3, Length: 1174, dtype: int64\n",
      "mindCH2 的特征分布：\n",
      "0.000000    1928\n",
      "4.235104       2\n",
      "4.218931       2\n",
      "4.221456       2\n",
      "3.581417       2\n",
      "4.287183       1\n",
      "3.851637       1\n",
      "3.590638       1\n",
      "3.541255       1\n",
      "4.205037       1\n",
      "4.271305       1\n",
      "4.287477       1\n",
      "4.299659       1\n",
      "3.785043       1\n",
      "4.273830       1\n",
      "4.244179       1\n",
      "3.694375       1\n",
      "3.720156       1\n",
      "3.963906       1\n",
      "3.590397       1\n",
      "3.733197       1\n",
      "3.790402       1\n",
      "3.689735       1\n",
      "3.832560       1\n",
      "3.816592       1\n",
      "3.701376       1\n",
      "3.695624       1\n",
      "3.657635       1\n",
      "3.649739       1\n",
      "3.683822       1\n",
      "3.637937       1\n",
      "3.627302       1\n",
      "3.570782       1\n",
      "3.686690       1\n",
      "3.851505       1\n",
      "3.781469       1\n",
      "3.746123       1\n",
      "3.810211       1\n",
      "3.753691       1\n",
      "4.059714       1\n",
      "3.624876       1\n",
      "3.784931       1\n",
      "4.071256       1\n",
      "Name: mindCH2, dtype: int64\n",
      "minssCH2 的特征分布：\n",
      " 0.000000    503\n",
      " 0.663112      7\n",
      " 0.492181      7\n",
      " 0.670334      5\n",
      " 0.684223      4\n",
      "            ... \n",
      " 0.744243      1\n",
      " 0.689479      1\n",
      " 0.706840      1\n",
      "-0.043646      1\n",
      " 0.265626      1\n",
      "Name: minssCH2, Length: 1282, dtype: int64\n",
      "mintCH 的特征分布：\n",
      "0.000000    1957\n",
      "5.746038       2\n",
      "6.076624       1\n",
      "5.722917       1\n",
      "5.703158       1\n",
      "5.775264       1\n",
      "5.699071       1\n",
      "5.766061       1\n",
      "5.693722       1\n",
      "5.792759       1\n",
      "5.370658       1\n",
      "5.449313       1\n",
      "5.493487       1\n",
      "5.537661       1\n",
      "5.463367       1\n",
      "5.521265       1\n",
      "5.737601       1\n",
      "Name: mintCH, dtype: int64\n",
      "mindsCH 的特征分布：\n",
      "0.000000    1536\n",
      "0.940281       3\n",
      "1.013053       3\n",
      "2.241289       3\n",
      "1.018295       3\n",
      "            ... \n",
      "0.541329       1\n",
      "1.817515       1\n",
      "1.697377       1\n",
      "1.441738       1\n",
      "1.719098       1\n",
      "Name: mindsCH, Length: 409, dtype: int64\n",
      "minaaCH 的特征分布：\n",
      "0.000000    57\n",
      "1.640610     6\n",
      "1.658712     4\n",
      "1.536147     4\n",
      "1.770120     3\n",
      "            ..\n",
      "1.401155     1\n",
      "1.391108     1\n",
      "1.421988     1\n",
      "1.636325     1\n",
      "1.242936     1\n",
      "Name: minaaCH, Length: 1777, dtype: int64\n",
      "minsssCH 的特征分布：\n",
      " 0.000000    1197\n",
      "-0.353793       7\n",
      "-0.082932       3\n",
      "-0.107903       3\n",
      "-0.140426       3\n",
      "             ... \n",
      "-0.018691       1\n",
      "-0.102963       1\n",
      "-0.149259       1\n",
      "-0.079815       1\n",
      "-0.817930       1\n",
      "Name: minsssCH, Length: 677, dtype: int64\n",
      "minddC 的特征分布：\n",
      "0    1974\n",
      "Name: minddC, dtype: int64\n",
      "mintsC 的特征分布：\n",
      "0.000000    1872\n",
      "2.433315       2\n",
      "2.748062       2\n",
      "2.156174       1\n",
      "2.012492       1\n",
      "            ... \n",
      "1.912905       1\n",
      "2.089096       1\n",
      "2.035897       1\n",
      "2.098590       1\n",
      "2.182927       1\n",
      "Name: mintsC, Length: 101, dtype: int64\n",
      "mindssC 的特征分布：\n",
      " 0.000000    755\n",
      " 0.962448      6\n",
      " 1.511804      3\n",
      " 1.027275      3\n",
      "-1.140858      3\n",
      "            ... \n",
      " 1.524650      1\n",
      " 1.591495      1\n",
      " 1.568517      1\n",
      " 1.526955      1\n",
      " 0.747764      1\n",
      "Name: mindssC, Length: 1133, dtype: int64\n",
      "minaasC 的特征分布：\n",
      " 0.000000    53\n",
      " 0.194006     6\n",
      " 0.139596     4\n",
      "-0.079892     3\n",
      " 0.268495     3\n",
      "             ..\n",
      " 0.018195     1\n",
      " 0.042130     1\n",
      " 0.020651     1\n",
      " 0.058334     1\n",
      "-0.048992     1\n",
      "Name: minaasC, Length: 1803, dtype: int64\n",
      "minaaaC 的特征分布：\n",
      "0.000000    1273\n",
      "0.529774       4\n",
      "1.041233       3\n",
      "0.976969       3\n",
      "0.989051       3\n",
      "            ... \n",
      "0.674707       1\n",
      "0.865949       1\n",
      "0.745957       1\n",
      "0.723449       1\n",
      "0.752564       1\n",
      "Name: minaaaC, Length: 665, dtype: int64\n",
      "minssssC 的特征分布：\n",
      " 0.000000    1538\n",
      "-1.768182       3\n",
      "-0.434848       3\n",
      " 0.150605       3\n",
      " 0.201435       3\n",
      "             ... \n",
      " 0.056782       1\n",
      " 0.039228       1\n",
      " 0.190977       1\n",
      " 0.183176       1\n",
      "-4.650612       1\n",
      "Name: minssssC, Length: 404, dtype: int64\n",
      "minsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: minsNH3p, dtype: int64\n",
      "minsNH2 的特征分布：\n",
      "0.000000    1924\n",
      "5.250191       2\n",
      "5.880982       1\n",
      "6.667317       1\n",
      "6.052978       1\n",
      "6.438421       1\n",
      "6.338174       1\n",
      "5.323545       1\n",
      "5.552415       1\n",
      "5.652540       1\n",
      "6.115033       1\n",
      "5.648272       1\n",
      "5.964499       1\n",
      "5.388102       1\n",
      "5.424039       1\n",
      "5.210913       1\n",
      "5.246983       1\n",
      "5.257316       1\n",
      "5.246255       1\n",
      "5.112182       1\n",
      "5.906531       1\n",
      "5.474609       1\n",
      "5.433361       1\n",
      "5.130724       1\n",
      "6.062756       1\n",
      "5.930651       1\n",
      "5.714824       1\n",
      "6.506544       1\n",
      "5.245658       1\n",
      "5.832327       1\n",
      "5.775624       1\n",
      "5.901230       1\n",
      "6.050973       1\n",
      "6.019029       1\n",
      "5.171865       1\n",
      "5.118483       1\n",
      "5.202729       1\n",
      "5.726553       1\n",
      "5.920586       1\n",
      "5.548165       1\n",
      "6.328082       1\n",
      "5.504275       1\n",
      "5.792351       1\n",
      "6.254872       1\n",
      "5.799806       1\n",
      "6.136562       1\n",
      "6.341828       1\n",
      "5.674439       1\n",
      "6.241689       1\n",
      "5.561610       1\n",
      "Name: minsNH2, dtype: int64\n",
      "minssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: minssNH2p, dtype: int64\n",
      "mindNH 的特征分布：\n",
      "0.000000    1959\n",
      "7.339297       2\n",
      "7.026123       1\n",
      "6.957116       1\n",
      "7.069333       1\n",
      "7.436361       1\n",
      "7.415886       1\n",
      "8.781421       1\n",
      "8.343041       1\n",
      "7.441674       1\n",
      "7.444079       1\n",
      "7.252740       1\n",
      "7.321982       1\n",
      "7.356684       1\n",
      "7.601595       1\n",
      "Name: mindNH, dtype: int64\n",
      "minssNH 的特征分布：\n",
      "0.000000    1639\n",
      "3.140970       3\n",
      "3.378115       2\n",
      "3.365338       2\n",
      "2.493065       2\n",
      "            ... \n",
      "2.959434       1\n",
      "2.811312       1\n",
      "3.241396       1\n",
      "3.238047       1\n",
      "2.222520       1\n",
      "Name: minssNH, Length: 326, dtype: int64\n",
      "minaaNH 的特征分布：\n",
      "0.000000    1831\n",
      "3.489931       3\n",
      "2.950987       3\n",
      "2.976145       3\n",
      "3.062098       2\n",
      "            ... \n",
      "3.006403       1\n",
      "3.030096       1\n",
      "2.933248       1\n",
      "3.099922       1\n",
      "3.434846       1\n",
      "Name: minaaNH, Length: 132, dtype: int64\n",
      "mintN 的特征分布：\n",
      "0.000000     1895\n",
      "10.020969       2\n",
      "9.349060        1\n",
      "9.317795        1\n",
      "9.019996        1\n",
      "             ... \n",
      "9.147856        1\n",
      "9.163741        1\n",
      "9.231374        1\n",
      "9.221446        1\n",
      "9.229602        1\n",
      "Name: mintN, Length: 79, dtype: int64\n",
      "minsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: minsssNHp, dtype: int64\n",
      "mindsN 的特征分布：\n",
      "0.000000    1850\n",
      "4.526679       1\n",
      "4.399309       1\n",
      "4.343387       1\n",
      "4.648952       1\n",
      "            ... \n",
      "4.031036       1\n",
      "4.083001       1\n",
      "4.237373       1\n",
      "4.355428       1\n",
      "4.803363       1\n",
      "Name: mindsN, Length: 125, dtype: int64\n",
      "minaaN 的特征分布：\n",
      "0.000000    1497\n",
      "3.940843       3\n",
      "3.977174       3\n",
      "4.200442       2\n",
      "4.621738       2\n",
      "            ... \n",
      "3.708686       1\n",
      "4.469039       1\n",
      "4.437831       1\n",
      "3.915771       1\n",
      "4.460040       1\n",
      "Name: minaaN, Length: 453, dtype: int64\n",
      "minsssN 的特征分布：\n",
      "0.000000    1093\n",
      "2.499274       7\n",
      "2.494865       4\n",
      "2.471717       4\n",
      "2.502967       4\n",
      "            ... \n",
      "1.298729       1\n",
      "1.631909       1\n",
      "1.655080       1\n",
      "1.623830       1\n",
      "2.487796       1\n",
      "Name: minsssN, Length: 789, dtype: int64\n",
      "minddsN 的特征分布：\n",
      "0    1974\n",
      "Name: minddsN, dtype: int64\n",
      "minaasN 的特征分布：\n",
      "0.000000    1783\n",
      "2.283422       2\n",
      "2.329332       2\n",
      "2.262296       1\n",
      "2.352837       1\n",
      "            ... \n",
      "1.745510       1\n",
      "1.413583       1\n",
      "2.199933       1\n",
      "1.969333       1\n",
      "2.017170       1\n",
      "Name: minaasN, Length: 190, dtype: int64\n",
      "minssssNp 的特征分布：\n",
      "0.00000    1973\n",
      "0.86878       1\n",
      "Name: minssssNp, dtype: int64\n",
      "minsOH 的特征分布：\n",
      "0.000000     426\n",
      "10.057063      6\n",
      "10.059932      5\n",
      "9.497391       4\n",
      "10.154792      3\n",
      "            ... \n",
      "10.009142      1\n",
      "10.005026      1\n",
      "10.003601      1\n",
      "9.999486       1\n",
      "9.645181       1\n",
      "Name: minsOH, Length: 1422, dtype: int64\n",
      "mindO 的特征分布：\n",
      "0.000000     924\n",
      "10.844790      3\n",
      "10.743472      3\n",
      "12.180667      3\n",
      "12.845989      3\n",
      "            ... \n",
      "13.231528      1\n",
      "12.473808      1\n",
      "12.446283      1\n",
      "10.705579      1\n",
      "13.659317      1\n",
      "Name: mindO, Length: 1004, dtype: int64\n",
      "minssO 的特征分布：\n",
      "0.000000    934\n",
      "6.120198      7\n",
      "6.026976      3\n",
      "5.986568      3\n",
      "6.017703      3\n",
      "           ... \n",
      "5.986435      1\n",
      "5.966457      1\n",
      "5.960147      1\n",
      "5.967101      1\n",
      "5.702148      1\n",
      "Name: minssO, Length: 964, dtype: int64\n",
      "minaaO 的特征分布：\n",
      "0.000000    1689\n",
      "5.290931       2\n",
      "5.125770       2\n",
      "5.465924       2\n",
      "5.652097       2\n",
      "            ... \n",
      "5.059432       1\n",
      "5.181881       1\n",
      "5.197010       1\n",
      "5.275153       1\n",
      "6.368240       1\n",
      "Name: minaaO, Length: 277, dtype: int64\n",
      "minaOm 的特征分布：\n",
      "0    1974\n",
      "Name: minaOm, dtype: int64\n",
      "minsOm 的特征分布：\n",
      "0.000000     1956\n",
      "11.136087       1\n",
      "11.008185       1\n",
      "11.734672       1\n",
      "10.737937       1\n",
      "11.055923       1\n",
      "12.360911       1\n",
      "11.915749       1\n",
      "10.584585       1\n",
      "10.842588       1\n",
      "10.893715       1\n",
      "10.824798       1\n",
      "11.665950       1\n",
      "11.034928       1\n",
      "11.076231       1\n",
      "11.045915       1\n",
      "10.934930       1\n",
      "11.365685       1\n",
      "10.827763       1\n",
      "Name: minsOm, dtype: int64\n",
      "minsF 的特征分布：\n",
      "0.000000     1648\n",
      "15.342421       3\n",
      "15.363254       3\n",
      "13.294382       2\n",
      "14.962811       2\n",
      "             ... \n",
      "13.438277       1\n",
      "13.483802       1\n",
      "13.462968       1\n",
      "13.503285       1\n",
      "13.228475       1\n",
      "Name: minsF, Length: 314, dtype: int64\n",
      "minsSiH3 的特征分布：\n",
      "0    1974\n",
      "Name: minsSiH3, dtype: int64\n",
      "minssSiH2 的特征分布：\n",
      "0    1974\n",
      "Name: minssSiH2, dtype: int64\n",
      "minsssSiH 的特征分布：\n",
      "0    1974\n",
      "Name: minsssSiH, dtype: int64\n",
      "minssssSi 的特征分布：\n",
      "0    1974\n",
      "Name: minssssSi, dtype: int64\n",
      "minsPH2 的特征分布：\n",
      "0    1974\n",
      "Name: minsPH2, dtype: int64\n",
      "minssPH 的特征分布：\n",
      "0    1974\n",
      "Name: minssPH, dtype: int64\n",
      "minsssP 的特征分布：\n",
      "0    1974\n",
      "Name: minsssP, dtype: int64\n",
      "mindsssP 的特征分布：\n",
      " 0.000000    1972\n",
      "-5.762709       1\n",
      "-5.751474       1\n",
      "Name: mindsssP, dtype: int64\n",
      "minddsP 的特征分布：\n",
      "0    1974\n",
      "Name: minddsP, dtype: int64\n",
      "minsssssP 的特征分布：\n",
      "0    1974\n",
      "Name: minsssssP, dtype: int64\n",
      "minsSH 的特征分布：\n",
      "0.00000    1973\n",
      "0.30156       1\n",
      "Name: minsSH, dtype: int64\n",
      "mindS 的特征分布：\n",
      "0.000000    1941\n",
      "0.455603       1\n",
      "0.488484       1\n",
      "0.456076       1\n",
      "0.480675       1\n",
      "0.428540       1\n",
      "0.451855       1\n",
      "0.437531       1\n",
      "0.369020       1\n",
      "0.375617       1\n",
      "0.473384       1\n",
      "0.431362       1\n",
      "0.483055       1\n",
      "0.444105       1\n",
      "0.474563       1\n",
      "0.321507       1\n",
      "0.493075       1\n",
      "0.472448       1\n",
      "0.174980       1\n",
      "0.491639       1\n",
      "0.869272       1\n",
      "0.385327       1\n",
      "0.330474       1\n",
      "0.903524       1\n",
      "0.452047       1\n",
      "0.147002       1\n",
      "0.248066       1\n",
      "0.370515       1\n",
      "0.535617       1\n",
      "0.536069       1\n",
      "0.335617       1\n",
      "0.392654       1\n",
      "0.247844       1\n",
      "0.441645       1\n",
      "Name: mindS, dtype: int64\n",
      "minssS 的特征分布：\n",
      " 0.000000    1753\n",
      "-1.608354       3\n",
      "-1.615830       3\n",
      "-1.613376       2\n",
      "-0.397887       2\n",
      "             ... \n",
      "-1.104957       1\n",
      "-1.146813       1\n",
      "-1.606124       1\n",
      "-1.606381       1\n",
      "-1.178306       1\n",
      "Name: minssS, Length: 201, dtype: int64\n",
      "minaaS 的特征分布：\n",
      " 0.000000    1787\n",
      "-1.773368       2\n",
      "-1.770516       2\n",
      "-1.346215       1\n",
      "-1.478193       1\n",
      "             ... \n",
      "-1.038173       1\n",
      "-1.344670       1\n",
      "-1.190856       1\n",
      "-1.246574       1\n",
      "-1.399058       1\n",
      "Name: minaaS, Length: 186, dtype: int64\n",
      "mindssS 的特征分布：\n",
      " 0.000000    1973\n",
      "-3.339572       1\n",
      "Name: mindssS, dtype: int64\n",
      "minddssS 的特征分布：\n",
      " 0.000000    1851\n",
      "-5.438526       2\n",
      "-5.978139       2\n",
      "-5.779142       2\n",
      "-4.768511       1\n",
      "             ... \n",
      "-6.028156       1\n",
      "-5.484730       1\n",
      "-5.564010       1\n",
      "-5.458557       1\n",
      "-5.993028       1\n",
      "Name: minddssS, Length: 121, dtype: int64\n",
      "minssssssS 的特征分布：\n",
      "0    1974\n",
      "Name: minssssssS, dtype: int64\n",
      "minSm 的特征分布：\n",
      "0    1974\n",
      "Name: minSm, dtype: int64\n",
      "minsCl 的特征分布：\n",
      "0.000000    1801\n",
      "0.930356       2\n",
      "0.568272       2\n",
      "0.705641       1\n",
      "0.647682       1\n",
      "            ... \n",
      "0.604552       1\n",
      "0.624708       1\n",
      "0.381701       1\n",
      "0.385795       1\n",
      "0.600303       1\n",
      "Name: minsCl, Length: 172, dtype: int64\n",
      "minsGeH3 的特征分布：\n",
      "0    1974\n",
      "Name: minsGeH3, dtype: int64\n",
      "minssGeH2 的特征分布：\n",
      "0    1974\n",
      "Name: minssGeH2, dtype: int64\n",
      "minsssGeH 的特征分布：\n",
      "0    1974\n",
      "Name: minsssGeH, dtype: int64\n",
      "minssssGe 的特征分布：\n",
      "0    1974\n",
      "Name: minssssGe, dtype: int64\n",
      "minsAsH2 的特征分布：\n",
      "0    1974\n",
      "Name: minsAsH2, dtype: int64\n",
      "minssAsH 的特征分布：\n",
      "0    1974\n",
      "Name: minssAsH, dtype: int64\n",
      "minsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: minsssAs, dtype: int64\n",
      "mindsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: mindsssAs, dtype: int64\n",
      "minddsAs 的特征分布：\n",
      "0    1974\n",
      "Name: minddsAs, dtype: int64\n",
      "minsssssAs 的特征分布：\n",
      "0    1974\n",
      "Name: minsssssAs, dtype: int64\n",
      "minsSeH 的特征分布：\n",
      "0    1974\n",
      "Name: minsSeH, dtype: int64\n",
      "mindSe 的特征分布：\n",
      "0    1974\n",
      "Name: mindSe, dtype: int64\n",
      "minssSe 的特征分布：\n",
      "0    1974\n",
      "Name: minssSe, dtype: int64\n",
      "minaaSe 的特征分布：\n",
      "0    1974\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Name: minaaSe, dtype: int64\n",
      "mindssSe 的特征分布：\n",
      "0    1974\n",
      "Name: mindssSe, dtype: int64\n",
      "minssssssSe 的特征分布：\n",
      "0    1974\n",
      "Name: minssssssSe, dtype: int64\n",
      "minddssSe 的特征分布：\n",
      "0    1974\n",
      "Name: minddssSe, dtype: int64\n",
      "minsBr 的特征分布：\n",
      " 0.000000    1859\n",
      " 0.042634       3\n",
      " 0.036849       2\n",
      "-0.034697       1\n",
      " 0.050627       1\n",
      "             ... \n",
      "-0.036512       1\n",
      "-0.011187       1\n",
      " 0.029790       1\n",
      "-0.083726       1\n",
      " 0.047215       1\n",
      "Name: minsBr, Length: 113, dtype: int64\n",
      "minsSnH3 的特征分布：\n",
      "0    1974\n",
      "Name: minsSnH3, dtype: int64\n",
      "minssSnH2 的特征分布：\n",
      "0    1974\n",
      "Name: minssSnH2, dtype: int64\n",
      "minsssSnH 的特征分布：\n",
      "0    1974\n",
      "Name: minsssSnH, dtype: int64\n",
      "minssssSn 的特征分布：\n",
      "0    1974\n",
      "Name: minssssSn, dtype: int64\n",
      "minsI 的特征分布：\n",
      " 0.000000    1970\n",
      "-0.040317       1\n",
      "-0.038517       1\n",
      "-0.059350       1\n",
      "-0.048529       1\n",
      "Name: minsI, dtype: int64\n",
      "minsPbH3 的特征分布：\n",
      "0    1974\n",
      "Name: minsPbH3, dtype: int64\n",
      "minssPbH2 的特征分布：\n",
      "0    1974\n",
      "Name: minssPbH2, dtype: int64\n",
      "minsssPbH 的特征分布：\n",
      "0    1974\n",
      "Name: minsssPbH, dtype: int64\n",
      "minssssPb 的特征分布：\n",
      "0    1974\n",
      "Name: minssssPb, dtype: int64\n",
      "maxHBd 的特征分布：\n",
      "0.000000    125\n",
      "0.516534     10\n",
      "0.471361      8\n",
      "0.599086      7\n",
      "0.516160      7\n",
      "           ... \n",
      "0.588176      1\n",
      "0.579911      1\n",
      "0.585830      1\n",
      "0.646147      1\n",
      "0.545019      1\n",
      "Name: maxHBd, Length: 1558, dtype: int64\n",
      "maxwHBd 的特征分布：\n",
      "0.000000    1939\n",
      "1.287119       3\n",
      "0.638337       2\n",
      "0.691961       2\n",
      "0.738836       2\n",
      "0.257164       2\n",
      "1.092678       1\n",
      "0.661825       1\n",
      "0.667110       1\n",
      "0.672301       1\n",
      "1.392511       1\n",
      "0.670571       1\n",
      "0.660794       1\n",
      "0.864382       1\n",
      "1.239382       1\n",
      "0.667769       1\n",
      "1.137867       1\n",
      "0.717678       1\n",
      "0.336505       1\n",
      "0.845921       1\n",
      "0.707367       1\n",
      "0.599097       1\n",
      "1.292900       1\n",
      "1.253005       1\n",
      "1.356535       1\n",
      "1.350019       1\n",
      "0.554833       1\n",
      "0.353444       1\n",
      "0.396008       1\n",
      "0.667484       1\n",
      "Name: maxwHBd, dtype: int64\n",
      "maxHBa 的特征分布：\n",
      "10.136089    6\n",
      "0.000000     4\n",
      "9.977508     3\n",
      "10.129447    3\n",
      "9.989464     3\n",
      "            ..\n",
      "11.849023    1\n",
      "11.917634    1\n",
      "11.960323    1\n",
      "12.028934    1\n",
      "13.659317    1\n",
      "Name: maxHBa, Length: 1844, dtype: int64\n",
      "maxwHBa 的特征分布：\n",
      "2.045712    7\n",
      "0.000000    6\n",
      "2.200945    4\n",
      "2.472210    4\n",
      "2.041765    4\n",
      "           ..\n",
      "3.785043    1\n",
      "3.816592    1\n",
      "1.933932    1\n",
      "1.786340    1\n",
      "1.784294    1\n",
      "Name: maxwHBa, Length: 1827, dtype: int64\n",
      "maxHBint2 的特征分布：\n",
      "0.000000    1549\n",
      "3.525179       3\n",
      "7.350681       3\n",
      "7.473317       3\n",
      "7.433628       3\n",
      "            ... \n",
      "3.644542       1\n",
      "2.746296       1\n",
      "5.414904       1\n",
      "7.159422       1\n",
      "7.994149       1\n",
      "Name: maxHBint2, Length: 404, dtype: int64\n",
      "maxHBint3 的特征分布：\n",
      "0.000000    1598\n",
      "7.543834       2\n",
      "5.144464       2\n",
      "0.567433       2\n",
      "7.266939       2\n",
      "            ... \n",
      "0.345266       1\n",
      "5.055742       1\n",
      "8.597539       1\n",
      "0.249993       1\n",
      "2.771831       1\n",
      "Name: maxHBint3, Length: 366, dtype: int64\n",
      "maxHBint4 的特征分布：\n",
      "0.000000    1370\n",
      "3.087445       4\n",
      "3.070464       3\n",
      "6.209839       2\n",
      "3.079124       2\n",
      "            ... \n",
      "2.878853       1\n",
      "2.733142       1\n",
      "3.154726       1\n",
      "3.144438       1\n",
      "5.256808       1\n",
      "Name: maxHBint4, Length: 569, dtype: int64\n",
      "maxHBint5 的特征分布：\n",
      "0.000000    1288\n",
      "3.048675       6\n",
      "3.109818       3\n",
      "3.892246       3\n",
      "3.125730       3\n",
      "            ... \n",
      "0.336977       1\n",
      "3.098084       1\n",
      "3.104322       1\n",
      "1.052552       1\n",
      "3.143239       1\n",
      "Name: maxHBint5, Length: 648, dtype: int64\n",
      "maxHBint6 的特征分布：\n",
      "0.000000    1204\n",
      "2.929036       6\n",
      "1.084299       3\n",
      "0.809980       3\n",
      "1.145033       3\n",
      "            ... \n",
      "7.594909       1\n",
      "6.855801       1\n",
      "7.606784       1\n",
      "7.142042       1\n",
      "7.148376       1\n",
      "Name: maxHBint6, Length: 740, dtype: int64\n",
      "maxHBint7 的特征分布：\n",
      "0.000000    1310\n",
      "3.170088       4\n",
      "3.155698       3\n",
      "3.358829       3\n",
      "3.343047       3\n",
      "            ... \n",
      "3.130509       1\n",
      "2.829868       1\n",
      "4.441266       1\n",
      "1.685902       1\n",
      "3.238773       1\n",
      "Name: maxHBint7, Length: 603, dtype: int64\n",
      "maxHBint8 的特征分布：\n",
      "0.000000    1462\n",
      "2.852007       4\n",
      "6.075392       3\n",
      "2.578395       3\n",
      "2.834854       3\n",
      "            ... \n",
      "5.936685       1\n",
      "5.581895       1\n",
      "5.749411       1\n",
      "5.694657       1\n",
      "3.315003       1\n",
      "Name: maxHBint8, Length: 474, dtype: int64\n",
      "maxHBint9 的特征分布：\n",
      "0.000000    1493\n",
      "4.777758       6\n",
      "1.201758       3\n",
      "0.956792       3\n",
      "1.645000       3\n",
      "            ... \n",
      "0.344166       1\n",
      "0.305246       1\n",
      "0.318490       1\n",
      "8.365064       1\n",
      "6.962851       1\n",
      "Name: maxHBint9, Length: 453, dtype: int64\n",
      "maxHBint10 的特征分布：\n",
      "0.000000    992\n",
      "2.771615      6\n",
      "2.844337      4\n",
      "2.842764      3\n",
      "3.314923      3\n",
      "           ... \n",
      "5.877129      1\n",
      "5.970451      1\n",
      "5.826096      1\n",
      "5.976454      1\n",
      "7.081222      1\n",
      "Name: maxHBint10, Length: 899, dtype: int64\n",
      "maxHsOH 的特征分布：\n",
      "0.000000    426\n",
      "0.516534     10\n",
      "0.471361      8\n",
      "0.599086      7\n",
      "0.516160      7\n",
      "           ... \n",
      "0.511562      1\n",
      "0.313602      1\n",
      "0.317604      1\n",
      "0.301979      1\n",
      "0.545019      1\n",
      "Name: maxHsOH, Length: 1271, dtype: int64\n",
      "maxHdNH 的特征分布：\n",
      "0.000000    1959\n",
      "0.555194       2\n",
      "0.651932       1\n",
      "0.663650       1\n",
      "0.642672       1\n",
      "0.566592       1\n",
      "0.572451       1\n",
      "0.412760       1\n",
      "0.491195       1\n",
      "0.565717       1\n",
      "0.543789       1\n",
      "0.568346       1\n",
      "0.561444       1\n",
      "0.550074       1\n",
      "0.508833       1\n",
      "Name: maxHdNH, dtype: int64\n",
      "maxHsSH 的特征分布：\n",
      "0.000000    1973\n",
      "0.613979       1\n",
      "Name: maxHsSH, dtype: int64\n",
      "maxHsNH2 的特征分布：\n",
      "0.000000    1924\n",
      "0.567261       2\n",
      "0.515524       1\n",
      "0.433970       1\n",
      "0.544862       1\n",
      "0.488193       1\n",
      "0.529005       1\n",
      "0.619184       1\n",
      "0.640419       1\n",
      "0.532934       1\n",
      "0.557076       1\n",
      "0.516051       1\n",
      "0.437067       1\n",
      "0.557783       1\n",
      "0.526883       1\n",
      "0.587235       1\n",
      "0.567716       1\n",
      "0.565163       1\n",
      "0.567137       1\n",
      "0.607592       1\n",
      "0.473752       1\n",
      "0.448805       1\n",
      "0.472744       1\n",
      "0.622583       1\n",
      "0.529436       1\n",
      "0.591273       1\n",
      "0.512422       1\n",
      "0.491608       1\n",
      "0.651295       1\n",
      "0.504946       1\n",
      "0.555078       1\n",
      "0.484679       1\n",
      "0.561281       1\n",
      "0.569420       1\n",
      "0.615496       1\n",
      "0.623309       1\n",
      "0.609323       1\n",
      "0.552937       1\n",
      "0.452929       1\n",
      "0.569963       1\n",
      "0.531027       1\n",
      "0.568350       1\n",
      "0.505073       1\n",
      "0.538143       1\n",
      "0.554927       1\n",
      "0.552944       1\n",
      "0.353140       1\n",
      "0.452743       1\n",
      "0.443891       1\n",
      "0.459118       1\n",
      "Name: maxHsNH2, dtype: int64\n",
      "maxHssNH 的特征分布：\n",
      "0.000000    1639\n",
      "0.274419       3\n",
      "0.336356       2\n",
      "0.334362       2\n",
      "0.385969       2\n",
      "            ... \n",
      "0.464041       1\n",
      "0.456740       1\n",
      "0.491652       1\n",
      "0.330673       1\n",
      "0.615301       1\n",
      "Name: maxHssNH, Length: 320, dtype: int64\n",
      "maxHaaNH 的特征分布：\n",
      "0.000000    1831\n",
      "0.302993       3\n",
      "0.540371       3\n",
      "0.529199       3\n",
      "0.535371       2\n",
      "            ... \n",
      "0.461376       1\n",
      "0.491656       1\n",
      "0.579353       1\n",
      "0.536143       1\n",
      "0.374312       1\n",
      "Name: maxHaaNH, Length: 130, dtype: int64\n",
      "maxHsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: maxHsNH3p, dtype: int64\n",
      "maxHssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: maxHssNH2p, dtype: int64\n",
      "maxHsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: maxHsssNHp, dtype: int64\n",
      "maxHtCH 的特征分布：\n",
      "0.000000    1957\n",
      "0.447784       2\n",
      "0.393295       1\n",
      "0.460564       1\n",
      "0.455766       1\n",
      "0.450028       1\n",
      "0.540406       1\n",
      "0.445406       1\n",
      "0.463523       1\n",
      "0.438547       1\n",
      "0.630462       1\n",
      "0.610774       1\n",
      "0.598428       1\n",
      "0.586082       1\n",
      "0.591471       1\n",
      "0.584539       1\n",
      "0.449360       1\n",
      "Name: maxHtCH, dtype: int64\n",
      "maxHdCH2 的特征分布：\n",
      "0.000000    1928\n",
      "0.322751       2\n",
      "0.478138       2\n",
      "0.331423       2\n",
      "0.548853       2\n",
      "0.325837       2\n",
      "0.327960       1\n",
      "0.489413       1\n",
      "0.497865       1\n",
      "0.514451       1\n",
      "0.526797       1\n",
      "0.340273       1\n",
      "0.321869       1\n",
      "0.319287       1\n",
      "0.484123       1\n",
      "0.318467       1\n",
      "0.322373       1\n",
      "0.320735       1\n",
      "0.381030       1\n",
      "0.515866       1\n",
      "0.479398       1\n",
      "0.483612       1\n",
      "0.448878       1\n",
      "0.464140       1\n",
      "0.434661       1\n",
      "0.515522       1\n",
      "0.473774       1\n",
      "0.484105       1\n",
      "0.486274       1\n",
      "0.520921       1\n",
      "0.533421       1\n",
      "0.536353       1\n",
      "0.551785       1\n",
      "0.517834       1\n",
      "0.527374       1\n",
      "0.488238       1\n",
      "0.489532       1\n",
      "0.486695       1\n",
      "0.502127       1\n",
      "0.340558       1\n",
      "0.476088       1\n",
      "0.355143       1\n",
      "Name: maxHdCH2, dtype: int64\n",
      "maxHdsCH 的特征分布：\n",
      "0.000000    1536\n",
      "0.634934       4\n",
      "0.263337       4\n",
      "0.673871       3\n",
      "0.257614       3\n",
      "            ... \n",
      "0.370517       1\n",
      "0.570370       1\n",
      "0.548596       1\n",
      "0.617071       1\n",
      "0.541875       1\n",
      "Name: maxHdsCH, Length: 398, dtype: int64\n",
      "maxHaaCH 的特征分布：\n",
      "0.000000    57\n",
      "0.568712     7\n",
      "0.552964     6\n",
      "0.657176     6\n",
      "0.645023     6\n",
      "            ..\n",
      "0.556070     1\n",
      "0.558385     1\n",
      "0.615182     1\n",
      "0.557900     1\n",
      "0.632159     1\n",
      "Name: maxHaaCH, Length: 1696, dtype: int64\n",
      "maxHCHnX 的特征分布：\n",
      "0.000000    1935\n",
      "1.287119       3\n",
      "0.257164       2\n",
      "0.691961       2\n",
      "0.638337       2\n",
      "0.738836       2\n",
      "1.392511       1\n",
      "0.670571       1\n",
      "0.660794       1\n",
      "0.672301       1\n",
      "0.599097       1\n",
      "0.864382       1\n",
      "1.239382       1\n",
      "0.667110       1\n",
      "1.137867       1\n",
      "1.092678       1\n",
      "0.717678       1\n",
      "0.661825       1\n",
      "1.292900       1\n",
      "0.707367       1\n",
      "1.253005       1\n",
      "1.356535       1\n",
      "1.350019       1\n",
      "0.554833       1\n",
      "0.353444       1\n",
      "0.396008       1\n",
      "0.336505       1\n",
      "0.251763       1\n",
      "0.462279       1\n",
      "0.446846       1\n",
      "0.845921       1\n",
      "0.528279       1\n",
      "0.667769       1\n",
      "0.667484       1\n",
      "Name: maxHCHnX, dtype: int64\n",
      "maxHCsats 的特征分布：\n",
      "0.000000    607\n",
      "0.839556     44\n",
      "0.641484     27\n",
      "0.504510     23\n",
      "0.654917     20\n",
      "           ... \n",
      "0.888592      1\n",
      "0.431074      1\n",
      "0.439436      1\n",
      "0.874703      1\n",
      "0.642410      1\n",
      "Name: maxHCsats, Length: 804, dtype: int64\n",
      "maxHCsatu 的特征分布：\n",
      "0.000000    1218\n",
      "0.504510      23\n",
      "0.953664      20\n",
      "0.993664      19\n",
      "0.523722      12\n",
      "            ... \n",
      "0.913094       1\n",
      "0.713389       1\n",
      "0.912846       1\n",
      "0.550999       1\n",
      "0.772372       1\n",
      "Name: maxHCsatu, Length: 504, dtype: int64\n",
      "maxHAvin 的特征分布：\n",
      "0.000000    1668\n",
      "0.546942       4\n",
      "0.592902       3\n",
      "0.605535       3\n",
      "0.586004       3\n",
      "            ... \n",
      "0.663639       1\n",
      "0.609463       1\n",
      "0.558162       1\n",
      "0.565662       1\n",
      "0.541875       1\n",
      "Name: maxHAvin, Length: 285, dtype: int64\n",
      "maxHother 的特征分布：\n",
      "0.000000    12\n",
      "0.568712     7\n",
      "0.645023     6\n",
      "0.552964     6\n",
      "0.657176     6\n",
      "            ..\n",
      "0.556070     1\n",
      "0.558385     1\n",
      "0.615182     1\n",
      "0.557900     1\n",
      "0.632159     1\n",
      "Name: maxHother, Length: 1739, dtype: int64\n",
      "maxHmisc 的特征分布：\n",
      "0    1974\n",
      "Name: maxHmisc, dtype: int64\n",
      "maxsLi 的特征分布：\n",
      "0    1974\n",
      "Name: maxsLi, dtype: int64\n",
      "maxssBe 的特征分布：\n",
      "0    1974\n",
      "Name: maxssBe, dtype: int64\n",
      "maxssssBem 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssBem, dtype: int64\n",
      "maxsBH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxsBH2, dtype: int64\n",
      "maxssBH 的特征分布：\n",
      "0    1974\n",
      "Name: maxssBH, dtype: int64\n",
      "maxsssB 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssB, dtype: int64\n",
      "maxssssBm 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssBm, dtype: int64\n",
      "maxsCH3 的特征分布：\n",
      "0.000000    719\n",
      "2.307513      7\n",
      "2.085748      3\n",
      "2.222711      3\n",
      "2.033378      3\n",
      "           ... \n",
      "2.234913      1\n",
      "2.248061      1\n",
      "2.246992      1\n",
      "2.239180      1\n",
      "1.589768      1\n",
      "Name: maxsCH3, Length: 1178, dtype: int64\n",
      "maxdCH2 的特征分布：\n",
      "0.000000    1928\n",
      "4.235104       2\n",
      "4.218931       2\n",
      "4.221456       2\n",
      "3.581417       2\n",
      "4.287183       1\n",
      "3.851637       1\n",
      "3.590638       1\n",
      "3.541255       1\n",
      "4.205037       1\n",
      "4.271305       1\n",
      "4.287477       1\n",
      "4.299659       1\n",
      "3.785043       1\n",
      "4.273830       1\n",
      "4.244179       1\n",
      "3.694375       1\n",
      "3.720156       1\n",
      "3.963906       1\n",
      "3.590397       1\n",
      "3.733197       1\n",
      "3.790402       1\n",
      "3.689735       1\n",
      "3.832560       1\n",
      "3.816592       1\n",
      "3.701376       1\n",
      "3.695624       1\n",
      "3.657635       1\n",
      "3.649739       1\n",
      "3.683822       1\n",
      "3.637937       1\n",
      "3.627302       1\n",
      "3.570782       1\n",
      "3.686690       1\n",
      "3.851505       1\n",
      "3.781469       1\n",
      "3.746123       1\n",
      "3.810211       1\n",
      "3.753691       1\n",
      "4.059714       1\n",
      "3.624876       1\n",
      "3.784931       1\n",
      "4.071256       1\n",
      "Name: maxdCH2, dtype: int64\n",
      "maxssCH2 的特征分布：\n",
      "0.000000    523\n",
      "1.335377      8\n",
      "1.261535      7\n",
      "1.349646      4\n",
      "1.348112      4\n",
      "           ... \n",
      "1.346668      1\n",
      "0.826879      1\n",
      "0.965274      1\n",
      "0.947654      1\n",
      "0.265626      1\n",
      "Name: maxssCH2, Length: 1311, dtype: int64\n",
      "maxtCH 的特征分布：\n",
      "0.000000    1957\n",
      "5.746038       2\n",
      "6.076624       1\n",
      "5.722917       1\n",
      "5.703158       1\n",
      "5.775264       1\n",
      "5.699071       1\n",
      "5.766061       1\n",
      "5.693722       1\n",
      "5.792759       1\n",
      "5.370658       1\n",
      "5.449313       1\n",
      "5.493487       1\n",
      "5.537661       1\n",
      "5.463367       1\n",
      "5.521265       1\n",
      "5.737601       1\n",
      "Name: maxtCH, dtype: int64\n",
      "maxdsCH 的特征分布：\n",
      "0.000000    1536\n",
      "2.472210       4\n",
      "1.334958       3\n",
      "1.427007       3\n",
      "1.445234       3\n",
      "            ... \n",
      "1.843669       1\n",
      "0.541329       1\n",
      "1.817515       1\n",
      "1.697377       1\n",
      "1.771858       1\n",
      "Name: maxdsCH, Length: 409, dtype: int64\n",
      "maxaaCH 的特征分布：\n",
      "0.000000    57\n",
      "2.045712     7\n",
      "2.041765     4\n",
      "2.200945     4\n",
      "1.851423     3\n",
      "            ..\n",
      "2.148953     1\n",
      "2.060599     1\n",
      "1.982543     1\n",
      "1.933932     1\n",
      "1.784294     1\n",
      "Name: maxaaCH, Length: 1783, dtype: int64\n",
      "maxsssCH 的特征分布：\n",
      "0.000000    1464\n",
      "0.762554       7\n",
      "0.478604       3\n",
      "0.723234       3\n",
      "0.273861       3\n",
      "            ... \n",
      "0.583239       1\n",
      "0.569350       1\n",
      "0.720970       1\n",
      "0.080018       1\n",
      "0.250872       1\n",
      "Name: maxsssCH, Length: 441, dtype: int64\n",
      "maxddC 的特征分布：\n",
      "0    1974\n",
      "Name: maxddC, dtype: int64\n",
      "maxtsC 的特征分布：\n",
      "0.000000    1872\n",
      "2.433315       2\n",
      "2.748062       2\n",
      "2.156174       1\n",
      "2.012492       1\n",
      "            ... \n",
      "1.977802       1\n",
      "2.089096       1\n",
      "2.035897       1\n",
      "2.098590       1\n",
      "2.182927       1\n",
      "Name: maxtsC, Length: 101, dtype: int64\n",
      "maxdssC 的特征分布：\n",
      "0.000000    1237\n",
      "1.006243       6\n",
      "0.023278       3\n",
      "1.131989       3\n",
      "1.511804       3\n",
      "            ... \n",
      "0.216679       1\n",
      "0.167329       1\n",
      "0.062496       1\n",
      "0.019186       1\n",
      "0.874012       1\n",
      "Name: maxdssC, Length: 667, dtype: int64\n",
      "maxaasC 的特征分布：\n",
      "0.000000    57\n",
      "0.995541     7\n",
      "1.030797     3\n",
      "1.257017     3\n",
      "1.198915     3\n",
      "            ..\n",
      "0.817166     1\n",
      "0.813741     1\n",
      "0.841654     1\n",
      "0.583519     1\n",
      "0.835639     1\n",
      "Name: maxaasC, Length: 1796, dtype: int64\n",
      "maxaaaC 的特征分布：\n",
      "0.000000    1278\n",
      "1.086342       3\n",
      "0.998161       3\n",
      "0.989468       3\n",
      "1.277980       2\n",
      "            ... \n",
      "1.577654       1\n",
      "1.425154       1\n",
      "1.576913       1\n",
      "1.424413       1\n",
      "0.907593       1\n",
      "Name: maxaaaC, Length: 665, dtype: int64\n",
      "maxssssC 的特征分布：\n",
      "0.000000    1816\n",
      "0.201435       3\n",
      "0.200168       3\n",
      "0.143681       2\n",
      "0.142431       2\n",
      "            ... \n",
      "0.152824       1\n",
      "0.151991       1\n",
      "0.149838       1\n",
      "0.200185       1\n",
      "0.090435       1\n",
      "Name: maxssssC, Length: 137, dtype: int64\n",
      "maxsNH3p 的特征分布：\n",
      "0    1974\n",
      "Name: maxsNH3p, dtype: int64\n",
      "maxsNH2 的特征分布：\n",
      "0.000000    1924\n",
      "6.180347       2\n",
      "5.880982       1\n",
      "6.667317       1\n",
      "6.052978       1\n",
      "6.438421       1\n",
      "6.338174       1\n",
      "5.323545       1\n",
      "5.552415       1\n",
      "5.652540       1\n",
      "6.115033       1\n",
      "5.648272       1\n",
      "5.964499       1\n",
      "6.285302       1\n",
      "5.424039       1\n",
      "6.056210       1\n",
      "6.161043       1\n",
      "6.229058       1\n",
      "6.219044       1\n",
      "5.112182       1\n",
      "5.906531       1\n",
      "5.474609       1\n",
      "5.433361       1\n",
      "5.130724       1\n",
      "6.062756       1\n",
      "5.930651       1\n",
      "5.714824       1\n",
      "6.506544       1\n",
      "5.245658       1\n",
      "5.832327       1\n",
      "5.775624       1\n",
      "5.901230       1\n",
      "6.050973       1\n",
      "6.019029       1\n",
      "5.171865       1\n",
      "5.118483       1\n",
      "5.202729       1\n",
      "5.726553       1\n",
      "5.920586       1\n",
      "5.548165       1\n",
      "6.328082       1\n",
      "5.504275       1\n",
      "5.792351       1\n",
      "6.254872       1\n",
      "5.799806       1\n",
      "6.136562       1\n",
      "6.341828       1\n",
      "5.674439       1\n",
      "6.241689       1\n",
      "5.561610       1\n",
      "Name: maxsNH2, dtype: int64\n",
      "maxssNH2p 的特征分布：\n",
      "0    1974\n",
      "Name: maxssNH2p, dtype: int64\n",
      "maxdNH 的特征分布：\n",
      "0.000000    1959\n",
      "7.606619       2\n",
      "7.026123       1\n",
      "6.957116       1\n",
      "7.069333       1\n",
      "7.436361       1\n",
      "7.415886       1\n",
      "8.781421       1\n",
      "8.343041       1\n",
      "7.441674       1\n",
      "7.771965       1\n",
      "7.526957       1\n",
      "7.578826       1\n",
      "7.624006       1\n",
      "7.601595       1\n",
      "Name: maxdNH, dtype: int64\n",
      "maxssNH 的特征分布：\n",
      "0.000000    1639\n",
      "3.140970       3\n",
      "3.449226       2\n",
      "3.436449       2\n",
      "3.369054       2\n",
      "            ... \n",
      "2.971295       1\n",
      "2.959434       1\n",
      "3.011390       1\n",
      "3.523205       1\n",
      "2.474190       1\n",
      "Name: maxssNH, Length: 325, dtype: int64\n",
      "maxaaNH 的特征分布：\n",
      "0.000000    1831\n",
      "3.489931       3\n",
      "2.950987       3\n",
      "2.976145       3\n",
      "3.062098       2\n",
      "            ... \n",
      "3.006403       1\n",
      "3.030096       1\n",
      "2.933248       1\n",
      "3.099922       1\n",
      "3.434846       1\n",
      "Name: maxaaNH, Length: 132, dtype: int64\n",
      "maxtN 的特征分布：\n",
      "0.000000     1895\n",
      "10.020969       2\n",
      "9.349060        1\n",
      "9.317795        1\n",
      "9.019996        1\n",
      "             ... \n",
      "9.147856        1\n",
      "9.163741        1\n",
      "9.231374        1\n",
      "9.221446        1\n",
      "9.229602        1\n",
      "Name: maxtN, Length: 79, dtype: int64\n",
      "maxsssNHp 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssNHp, dtype: int64\n",
      "maxdsN 的特征分布：\n",
      "0.000000    1850\n",
      "4.526679       1\n",
      "4.399309       1\n",
      "4.343387       1\n",
      "4.648952       1\n",
      "            ... \n",
      "4.031036       1\n",
      "4.083001       1\n",
      "4.237373       1\n",
      "4.355428       1\n",
      "4.803363       1\n",
      "Name: maxdsN, Length: 125, dtype: int64\n",
      "maxaaN 的特征分布：\n",
      "0.000000    1497\n",
      "4.270441       3\n",
      "4.316428       3\n",
      "4.095539       2\n",
      "4.324451       2\n",
      "            ... \n",
      "3.708686       1\n",
      "4.469039       1\n",
      "4.437831       1\n",
      "3.915771       1\n",
      "4.460040       1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Name: maxaaN, Length: 453, dtype: int64\n",
      "maxsssN 的特征分布：\n",
      "0.000000    1093\n",
      "2.499274       7\n",
      "2.502967       4\n",
      "2.471717       4\n",
      "2.438958       4\n",
      "            ... \n",
      "1.298729       1\n",
      "1.631909       1\n",
      "1.655080       1\n",
      "1.623830       1\n",
      "2.487796       1\n",
      "Name: maxsssN, Length: 788, dtype: int64\n",
      "maxddsN 的特征分布：\n",
      "0    1974\n",
      "Name: maxddsN, dtype: int64\n",
      "maxaasN 的特征分布：\n",
      "0.000000    1783\n",
      "2.329332       2\n",
      "2.283422       2\n",
      "2.115185       2\n",
      "2.349908       1\n",
      "            ... \n",
      "1.413583       1\n",
      "2.199933       1\n",
      "1.969333       1\n",
      "1.505470       1\n",
      "2.017170       1\n",
      "Name: maxaasN, Length: 189, dtype: int64\n",
      "maxssssNp 的特征分布：\n",
      "0.00000    1973\n",
      "0.86878       1\n",
      "Name: maxssssNp, dtype: int64\n",
      "maxsOH 的特征分布：\n",
      "0.000000     426\n",
      "10.136089      6\n",
      "10.016644      3\n",
      "9.977508       3\n",
      "9.395845       3\n",
      "            ... \n",
      "10.114390      1\n",
      "10.110930      1\n",
      "10.097010      1\n",
      "10.062797      1\n",
      "9.815320       1\n",
      "Name: maxsOH, Length: 1431, dtype: int64\n",
      "maxdO 的特征分布：\n",
      "0.000000     924\n",
      "10.837359      3\n",
      "12.180667      3\n",
      "12.845989      3\n",
      "10.854652      3\n",
      "            ... \n",
      "13.330358      1\n",
      "13.805235      1\n",
      "13.804269      1\n",
      "13.549302      1\n",
      "13.659317      1\n",
      "Name: maxdO, Length: 1002, dtype: int64\n",
      "maxssO 的特征分布：\n",
      "0.000000    934\n",
      "6.467811      6\n",
      "6.516055      4\n",
      "6.502751      3\n",
      "6.343584      3\n",
      "           ... \n",
      "6.439306      1\n",
      "6.450781      1\n",
      "6.495633      1\n",
      "6.387271      1\n",
      "6.247428      1\n",
      "Name: maxssO, Length: 962, dtype: int64\n",
      "maxaaO 的特征分布：\n",
      "0.000000    1689\n",
      "5.290931       2\n",
      "5.125770       2\n",
      "5.465924       2\n",
      "5.652097       2\n",
      "            ... \n",
      "5.059432       1\n",
      "5.181881       1\n",
      "5.197010       1\n",
      "5.275153       1\n",
      "6.368240       1\n",
      "Name: maxaaO, Length: 277, dtype: int64\n",
      "maxaOm 的特征分布：\n",
      "0    1974\n",
      "Name: maxaOm, dtype: int64\n",
      "maxsOm 的特征分布：\n",
      "0.000000     1956\n",
      "11.136087       1\n",
      "11.008185       1\n",
      "11.734672       1\n",
      "10.737937       1\n",
      "11.513445       1\n",
      "12.360911       1\n",
      "11.915749       1\n",
      "10.584585       1\n",
      "11.237685       1\n",
      "10.893715       1\n",
      "10.824798       1\n",
      "11.665950       1\n",
      "11.034928       1\n",
      "11.076231       1\n",
      "11.045915       1\n",
      "10.934930       1\n",
      "11.365685       1\n",
      "10.827763       1\n",
      "Name: maxsOm, dtype: int64\n",
      "maxsF 的特征分布：\n",
      "0.000000     1648\n",
      "15.342421       3\n",
      "15.363254       3\n",
      "14.962811       2\n",
      "14.171597       2\n",
      "             ... \n",
      "13.438277       1\n",
      "13.483802       1\n",
      "13.462968       1\n",
      "13.503285       1\n",
      "13.228475       1\n",
      "Name: maxsF, Length: 315, dtype: int64\n",
      "maxsSiH3 的特征分布：\n",
      "0    1974\n",
      "Name: maxsSiH3, dtype: int64\n",
      "maxssSiH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxssSiH2, dtype: int64\n",
      "maxsssSiH 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssSiH, dtype: int64\n",
      "maxssssSi 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssSi, dtype: int64\n",
      "maxsPH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxsPH2, dtype: int64\n",
      "maxssPH 的特征分布：\n",
      "0    1974\n",
      "Name: maxssPH, dtype: int64\n",
      "maxsssP 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssP, dtype: int64\n",
      "maxdsssP 的特征分布：\n",
      "0    1974\n",
      "Name: maxdsssP, dtype: int64\n",
      "maxddsP 的特征分布：\n",
      "0    1974\n",
      "Name: maxddsP, dtype: int64\n",
      "maxsssssP 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssssP, dtype: int64\n",
      "maxsSH 的特征分布：\n",
      "0.00000    1973\n",
      "0.30156       1\n",
      "Name: maxsSH, dtype: int64\n",
      "maxdS 的特征分布：\n",
      "0.000000    1941\n",
      "0.455603       1\n",
      "0.488484       1\n",
      "0.456076       1\n",
      "0.480675       1\n",
      "0.428540       1\n",
      "0.451855       1\n",
      "0.437531       1\n",
      "0.369020       1\n",
      "0.375617       1\n",
      "0.473384       1\n",
      "0.431362       1\n",
      "0.483055       1\n",
      "0.444105       1\n",
      "0.474563       1\n",
      "0.321507       1\n",
      "0.493075       1\n",
      "0.472448       1\n",
      "0.174980       1\n",
      "0.491639       1\n",
      "0.869272       1\n",
      "0.385327       1\n",
      "0.330474       1\n",
      "0.903524       1\n",
      "0.452047       1\n",
      "0.147002       1\n",
      "0.248066       1\n",
      "0.370515       1\n",
      "0.535617       1\n",
      "0.536069       1\n",
      "0.335617       1\n",
      "0.392654       1\n",
      "0.247844       1\n",
      "0.441645       1\n",
      "Name: maxdS, dtype: int64\n",
      "maxssS 的特征分布：\n",
      "0    1974\n",
      "Name: maxssS, dtype: int64\n",
      "maxaaS 的特征分布：\n",
      "0    1974\n",
      "Name: maxaaS, dtype: int64\n",
      "maxdssS 的特征分布：\n",
      "0    1974\n",
      "Name: maxdssS, dtype: int64\n",
      "maxddssS 的特征分布：\n",
      "0    1974\n",
      "Name: maxddssS, dtype: int64\n",
      "maxssssssS 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssssS, dtype: int64\n",
      "maxSm 的特征分布：\n",
      "0    1974\n",
      "Name: maxSm, dtype: int64\n",
      "maxsCl 的特征分布：\n",
      "0.000000    1801\n",
      "0.930356       2\n",
      "0.568272       2\n",
      "0.705641       1\n",
      "0.647682       1\n",
      "            ... \n",
      "0.604552       1\n",
      "0.624708       1\n",
      "0.492587       1\n",
      "0.496445       1\n",
      "0.600303       1\n",
      "Name: maxsCl, Length: 172, dtype: int64\n",
      "maxsGeH3 的特征分布：\n",
      "0    1974\n",
      "Name: maxsGeH3, dtype: int64\n",
      "maxssGeH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxssGeH2, dtype: int64\n",
      "maxsssGeH 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssGeH, dtype: int64\n",
      "maxssssGe 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssGe, dtype: int64\n",
      "maxsAsH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxsAsH2, dtype: int64\n",
      "maxssAsH 的特征分布：\n",
      "0    1974\n",
      "Name: maxssAsH, dtype: int64\n",
      "maxsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssAs, dtype: int64\n",
      "maxdsssAs 的特征分布：\n",
      "0    1974\n",
      "Name: maxdsssAs, dtype: int64\n",
      "maxddsAs 的特征分布：\n",
      "0    1974\n",
      "Name: maxddsAs, dtype: int64\n",
      "maxsssssAs 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssssAs, dtype: int64\n",
      "maxsSeH 的特征分布：\n",
      "0    1974\n",
      "Name: maxsSeH, dtype: int64\n",
      "maxdSe 的特征分布：\n",
      "0    1974\n",
      "Name: maxdSe, dtype: int64\n",
      "maxssSe 的特征分布：\n",
      "0    1974\n",
      "Name: maxssSe, dtype: int64\n",
      "maxaaSe 的特征分布：\n",
      "0    1974\n",
      "Name: maxaaSe, dtype: int64\n",
      "maxdssSe 的特征分布：\n",
      "0    1974\n",
      "Name: maxdssSe, dtype: int64\n",
      "maxssssssSe 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssssSe, dtype: int64\n",
      "maxddssSe 的特征分布：\n",
      "0    1974\n",
      "Name: maxddssSe, dtype: int64\n",
      "maxsBr 的特征分布：\n",
      "0.000000    1894\n",
      "0.042634       3\n",
      "0.036849       2\n",
      "0.160049       1\n",
      "0.354061       1\n",
      "            ... \n",
      "0.099386       1\n",
      "0.086666       1\n",
      "0.041236       1\n",
      "0.034898       1\n",
      "0.047215       1\n",
      "Name: maxsBr, Length: 78, dtype: int64\n",
      "maxsSnH3 的特征分布：\n",
      "0    1974\n",
      "Name: maxsSnH3, dtype: int64\n",
      "maxssSnH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxssSnH2, dtype: int64\n",
      "maxsssSnH 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssSnH, dtype: int64\n",
      "maxssssSn 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssSn, dtype: int64\n",
      "maxsI 的特征分布：\n",
      "0    1974\n",
      "Name: maxsI, dtype: int64\n",
      "maxsPbH3 的特征分布：\n",
      "0    1974\n",
      "Name: maxsPbH3, dtype: int64\n",
      "maxssPbH2 的特征分布：\n",
      "0    1974\n",
      "Name: maxssPbH2, dtype: int64\n",
      "maxsssPbH 的特征分布：\n",
      "0    1974\n",
      "Name: maxsssPbH, dtype: int64\n",
      "maxssssPb 的特征分布：\n",
      "0    1974\n",
      "Name: maxssssPb, dtype: int64\n",
      "sumI 的特征分布：\n",
      "50.166667    14\n",
      "49.833333    14\n",
      "74.000000    13\n",
      "70.314815    11\n",
      "79.166667    11\n",
      "             ..\n",
      "98.333333     1\n",
      "96.500000     1\n",
      "95.000000     1\n",
      "97.333333     1\n",
      "91.824074     1\n",
      "Name: sumI, Length: 996, dtype: int64\n",
      "hmax 的特征分布：\n",
      "0.839556    44\n",
      "0.738280    27\n",
      "0.953664    20\n",
      "0.993664    19\n",
      "0.846926    13\n",
      "            ..\n",
      "0.575760     1\n",
      "1.391421     1\n",
      "0.502966     1\n",
      "0.502399     1\n",
      "1.613558     1\n",
      "Name: hmax, Length: 1453, dtype: int64\n",
      "gmax 的特征分布：\n",
      "10.136089    6\n",
      "12.845989    3\n",
      "15.342421    3\n",
      "10.129447    3\n",
      "10.546160    3\n",
      "            ..\n",
      "12.069856    1\n",
      "11.849023    1\n",
      "11.917634    1\n",
      "11.960323    1\n",
      "13.659317    1\n",
      "Name: gmax, Length: 1847, dtype: int64\n",
      "hmin 的特征分布：\n",
      "-0.401857    15\n",
      "-0.399195    11\n",
      " 0.048889     8\n",
      "-0.043542     8\n",
      "-0.188501     7\n",
      "             ..\n",
      " 0.190237     1\n",
      " 0.108472     1\n",
      " 0.070773     1\n",
      " 0.145860     1\n",
      "-0.412451     1\n",
      "Name: hmin, Length: 1653, dtype: int64\n",
      "gmin 的特征分布：\n",
      "-0.353793    7\n",
      " 0.139596    4\n",
      "-2.776593    3\n",
      "-1.608354    3\n",
      "-0.387321    3\n",
      "            ..\n",
      "-0.416852    1\n",
      "-0.402729    1\n",
      "-0.328076    1\n",
      "-0.509630    1\n",
      "-5.993028    1\n",
      "Name: gmin, Length: 1844, dtype: int64\n",
      "LipoaffinityIndex 的特征分布：\n",
      "11.991200    6\n",
      "11.276278    3\n",
      "12.803699    3\n",
      "8.823879     3\n",
      "12.231564    3\n",
      "            ..\n",
      "4.670543     1\n",
      "4.205941     1\n",
      "4.674302     1\n",
      "4.668732     1\n",
      "7.965074     1\n",
      "Name: LipoaffinityIndex, Length: 1875, dtype: int64\n",
      "MAXDN 的特征分布：\n",
      "1.687126    7\n",
      "1.527070    4\n",
      "4.109926    3\n",
      "1.316453    3\n",
      "2.626784    3\n",
      "           ..\n",
      "2.083519    1\n",
      "2.069395    1\n",
      "1.994743    1\n",
      "2.176296    1\n",
      "6.317102    1\n",
      "Name: MAXDN, Length: 1847, dtype: int64\n",
      "MAXDP 的特征分布：\n",
      "4.136089    6\n",
      "4.129447    3\n",
      "3.977508    3\n",
      "3.997695    3\n",
      "3.989464    3\n",
      "           ..\n",
      "5.069856    1\n",
      "4.849023    1\n",
      "4.917634    1\n",
      "4.960323    1\n",
      "6.659317    1\n",
      "Name: MAXDP, Length: 1845, dtype: int64\n",
      "DELS 的特征分布：\n",
      "29.882351    6\n",
      "29.570228    3\n",
      "28.130907    3\n",
      "25.664809    3\n",
      "22.338128    3\n",
      "            ..\n",
      "28.104104    1\n",
      "29.802281    1\n",
      "34.756182    1\n",
      "29.384796    1\n",
      "66.279634    1\n",
      "Name: DELS, Length: 1866, dtype: int64\n",
      "MAXDN2 的特征分布：\n",
      "1.687126    7\n",
      "1.527070    4\n",
      "1.720655    3\n",
      "1.456627    3\n",
      "2.626784    3\n",
      "           ..\n",
      "2.069395    1\n",
      "2.100067    1\n",
      "2.176296    1\n",
      "2.192500    1\n",
      "5.021763    1\n",
      "Name: MAXDN2, Length: 1847, dtype: int64\n",
      "MAXDP2 的特征分布：\n",
      "4.136089    6\n",
      "3.997695    3\n",
      "3.930101    3\n",
      "4.129447    3\n",
      "3.942056    3\n",
      "           ..\n",
      "4.917634    1\n",
      "4.960323    1\n",
      "5.028934    1\n",
      "5.078992    1\n",
      "6.511168    1\n",
      "Name: MAXDP2, Length: 1846, dtype: int64\n",
      "DELS2 的特征分布：\n",
      "29.882351    6\n",
      "28.876759    3\n",
      "25.664809    3\n",
      "51.195724    3\n",
      "33.703552    3\n",
      "            ..\n",
      "27.182250    1\n",
      "27.219565    1\n",
      "28.066789    1\n",
      "28.104104    1\n",
      "65.273726    1\n",
      "Name: DELS2, Length: 1864, dtype: int64\n",
      "ETA_Alpha 的特征分布：\n",
      "16.56665    37\n",
      "16.06665    25\n",
      "16.73332    21\n",
      "17.06665    21\n",
      "16.23332    21\n",
      "            ..\n",
      "12.19524     1\n",
      "14.09999     1\n",
      "7.43332      1\n",
      "13.66666     1\n",
      "18.83331     1\n",
      "Name: ETA_Alpha, Length: 796, dtype: int64\n",
      "ETA_AlphaP 的特征分布：\n",
      "0.48333    47\n",
      "0.46667    36\n",
      "0.48725    31\n",
      "0.48687    23\n",
      "0.48000    23\n",
      "           ..\n",
      "0.45031     1\n",
      "0.48839     1\n",
      "0.48908     1\n",
      "0.46212     1\n",
      "0.48291     1\n",
      "Name: ETA_AlphaP, Length: 738, dtype: int64\n",
      "ETA_dAlpha_A 的特征分布：\n",
      "0.00000    1831\n",
      "0.01754       5\n",
      "0.01667       5\n",
      "0.02222       5\n",
      "0.00476       4\n",
      "           ... \n",
      "0.02273       1\n",
      "0.06140       1\n",
      "0.01515       1\n",
      "0.00758       1\n",
      "0.02807       1\n",
      "Name: ETA_dAlpha_A, Length: 100, dtype: int64\n",
      "ETA_dAlpha_B 的特征分布：\n",
      "0.00000    150\n",
      "0.01667     47\n",
      "0.03333     36\n",
      "0.01275     31\n",
      "0.01313     23\n",
      "          ... \n",
      "0.01410      1\n",
      "0.00333      1\n",
      "0.00494      1\n",
      "0.01101      1\n",
      "0.01709      1\n",
      "Name: ETA_dAlpha_B, Length: 640, dtype: int64\n",
      "ETA_Epsilon_1 的特征分布：\n",
      "0.56667    27\n",
      "0.57312    16\n",
      "0.55686    15\n",
      "0.54783    13\n",
      "0.64688    13\n",
      "           ..\n",
      "0.48571     1\n",
      "0.51887     1\n",
      "0.48868     1\n",
      "0.60286     1\n",
      "0.61487     1\n",
      "Name: ETA_Epsilon_1, Length: 1185, dtype: int64\n",
      "ETA_Epsilon_2 的特征分布：\n",
      "0.80980    30\n",
      "0.76667    30\n",
      "0.81313    21\n",
      "0.79905    19\n",
      "0.80196    17\n",
      "           ..\n",
      "0.82593     1\n",
      "0.82353     1\n",
      "0.86019     1\n",
      "0.84881     1\n",
      "0.82479     1\n",
      "Name: ETA_Epsilon_2, Length: 908, dtype: int64\n",
      "ETA_Epsilon_3 的特征分布：\n",
      "0.44286    164\n",
      "0.44468    115\n",
      "0.44237    102\n",
      "0.44400     98\n",
      "0.44340     96\n",
      "          ... \n",
      "0.43861      1\n",
      "0.44132      1\n",
      "0.45273      1\n",
      "0.44328      1\n",
      "0.44940      1\n",
      "Name: ETA_Epsilon_3, Length: 98, dtype: int64\n",
      "ETA_Epsilon_4 的特征分布：\n",
      "0.50884    22\n",
      "0.51167    19\n",
      "0.50078    17\n",
      "0.56667    16\n",
      "0.49848    14\n",
      "           ..\n",
      "0.47143     1\n",
      "0.48413     1\n",
      "0.48571     1\n",
      "0.47544     1\n",
      "0.52007     1\n",
      "Name: ETA_Epsilon_4, Length: 1143, dtype: int64\n",
      "ETA_Epsilon_5 的特征分布：\n",
      "0.78148    28\n",
      "0.78381    21\n",
      "0.78261    19\n",
      "0.78636    18\n",
      "0.72933    16\n",
      "           ..\n",
      "0.82525     1\n",
      "0.84091     1\n",
      "0.84368     1\n",
      "0.87826     1\n",
      "0.79919     1\n",
      "Name: ETA_Epsilon_5, Length: 954, dtype: int64\n",
      "ETA_dEpsilon_A 的特征分布：\n",
      "0.12199    21\n",
      "0.12806    16\n",
      "0.19951    12\n",
      "0.11253    12\n",
      "0.10350    10\n",
      "           ..\n",
      "0.17943     1\n",
      "0.10295     1\n",
      "0.10366     1\n",
      "0.11184     1\n",
      "0.16908     1\n",
      "Name: ETA_dEpsilon_A, Length: 1330, dtype: int64\n",
      "ETA_dEpsilon_B 的特征分布：\n",
      "0.05783    21\n",
      "0.06145    16\n",
      "0.05838    12\n",
      "0.12034    12\n",
      "0.05569    10\n",
      "           ..\n",
      "0.06913     1\n",
      "0.06938     1\n",
      "0.06765     1\n",
      "0.06966     1\n",
      "0.09480     1\n",
      "Name: ETA_dEpsilon_B, Length: 1313, dtype: int64\n",
      "ETA_dEpsilon_C 的特征分布：\n",
      "-0.06415    22\n",
      "-0.06661    18\n",
      "-0.05610    16\n",
      "-0.05416    14\n",
      "-0.04781    14\n",
      "            ..\n",
      "-0.11373     1\n",
      "-0.05179     1\n",
      "-0.03615     1\n",
      "-0.03167     1\n",
      "-0.07428     1\n",
      "Name: ETA_dEpsilon_C, Length: 1266, dtype: int64\n",
      "ETA_dEpsilon_D 的特征分布：\n",
      "0.00000    125\n",
      "0.02832     28\n",
      "0.02932     21\n",
      "0.03733     16\n",
      "0.04596     16\n",
      "          ... \n",
      "0.04066      1\n",
      "0.04279      1\n",
      "0.04779      1\n",
      "0.03550      1\n",
      "0.02560      1\n",
      "Name: ETA_dEpsilon_D, Length: 987, dtype: int64\n",
      "ETA_Psi_1 的特征分布：\n",
      "0.60169    31\n",
      "0.59876    21\n",
      "0.63327    20\n",
      "0.59833    19\n",
      "0.59535    17\n",
      "           ..\n",
      "0.57059     1\n",
      "0.54588     1\n",
      "0.56467     1\n",
      "0.58744     1\n",
      "0.58549     1\n",
      "Name: ETA_Psi_1, Length: 931, dtype: int64\n",
      "ETA_dPsi_A 的特征分布：\n",
      "0.11260    31\n",
      "0.11553    21\n",
      "0.08102    20\n",
      "0.11596    19\n",
      "0.11894    17\n",
      "           ..\n",
      "0.24324     1\n",
      "0.13071     1\n",
      "0.13726     1\n",
      "0.07454     1\n",
      "0.12880     1\n",
      "Name: ETA_dPsi_A, Length: 928, dtype: int64\n",
      "ETA_dPsi_B 的特征分布：\n",
      "0.00000    1970\n",
      "0.01197       1\n",
      "0.00481       1\n",
      "0.03763       1\n",
      "0.03097       1\n",
      "Name: ETA_dPsi_B, dtype: int64\n",
      "ETA_Shape_P 的特征分布：\n",
      "0.04149    14\n",
      "0.17241    13\n",
      "0.15625    12\n",
      "0.06734    12\n",
      "0.04024    11\n",
      "           ..\n",
      "0.16832     1\n",
      "0.15315     1\n",
      "0.19172     1\n",
      "0.28712     1\n",
      "0.02188     1\n",
      "Name: ETA_Shape_P, Length: 1230, dtype: int64\n",
      "ETA_Shape_Y 的特征分布：\n",
      "0.37500    19\n",
      "0.28125    17\n",
      "0.35614    15\n",
      "0.34570    15\n",
      "0.40404    13\n",
      "           ..\n",
      "0.18750     1\n",
      "0.33793     1\n",
      "0.31536     1\n",
      "0.38095     1\n",
      "0.31858     1\n",
      "Name: ETA_Shape_Y, Length: 1087, dtype: int64\n",
      "ETA_Shape_X 的特征分布：\n",
      "0.00000    1426\n",
      "0.09375      10\n",
      "0.08955      10\n",
      "0.04110       9\n",
      "0.05172       8\n",
      "           ... \n",
      "0.05175       1\n",
      "0.05531       1\n",
      "0.12676       1\n",
      "0.13235       1\n",
      "0.04425       1\n",
      "Name: ETA_Shape_X, Length: 335, dtype: int64\n",
      "ETA_Beta 的特征分布：\n",
      "40.75    43\n",
      "42.75    38\n",
      "41.00    35\n",
      "40.25    33\n",
      "27.50    32\n",
      "         ..\n",
      "11.25     1\n",
      "64.00     1\n",
      "14.75     1\n",
      "13.25     1\n",
      "62.50     1\n",
      "Name: ETA_Beta, Length: 182, dtype: int64\n",
      "ETA_BetaP 的特征分布：\n",
      "1.50000    45\n",
      "1.19853    31\n",
      "1.25000    30\n",
      "1.21970    22\n",
      "1.22143    17\n",
      "           ..\n",
      "1.50781     1\n",
      "1.43966     1\n",
      "1.64474     1\n",
      "1.56579     1\n",
      "1.04839     1\n",
      "Name: ETA_BetaP, Length: 702, dtype: int64\n",
      "ETA_Beta_s 的特征分布：\n",
      "12.50    71\n",
      "21.25    64\n",
      "20.75    61\n",
      "12.00    58\n",
      "13.25    57\n",
      "         ..\n",
      "7.75      1\n",
      "8.25      1\n",
      "8.00      1\n",
      "37.50     1\n",
      "30.25     1\n",
      "Name: ETA_Beta_s, Length: 94, dtype: int64\n",
      "ETA_BetaP_s 的特征分布：\n",
      "0.62500    151\n",
      "0.60000     58\n",
      "0.63235     44\n",
      "0.58333     42\n",
      "0.62879     41\n",
      "          ... \n",
      "0.55882      1\n",
      "0.56944      1\n",
      "0.68548      1\n",
      "0.56000      1\n",
      "0.58065      1\n",
      "Name: ETA_BetaP_s, Length: 266, dtype: int64\n",
      "ETA_Beta_ns 的特征分布：\n",
      "19.50    125\n",
      "21.00    110\n",
      "20.50    103\n",
      "16.50     94\n",
      "19.00     90\n",
      "        ... \n",
      "27.75      1\n",
      "28.50      1\n",
      "18.25      1\n",
      "17.25      1\n",
      "30.75      1\n",
      "Name: ETA_Beta_ns, Length: 94, dtype: int64\n",
      "ETA_BetaP_ns 的特征分布：\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.57353    43\n",
      "0.59091    40\n",
      "0.60000    34\n",
      "0.75000    32\n",
      "0.91667    26\n",
      "           ..\n",
      "0.35185     1\n",
      "0.80882     1\n",
      "0.74000     1\n",
      "0.90323     1\n",
      "0.79605     1\n",
      "Name: ETA_BetaP_ns, Length: 500, dtype: int64\n",
      "ETA_dBeta 的特征分布：\n",
      "-1.75     65\n",
      "-0.75     61\n",
      " 2.50     59\n",
      " 4.75     52\n",
      "-1.50     51\n",
      "          ..\n",
      "-13.75     1\n",
      "-12.25     1\n",
      " 9.75      1\n",
      "-7.25      1\n",
      " 10.00     1\n",
      "Name: ETA_dBeta, Length: 105, dtype: int64\n",
      "ETA_dBetaP 的特征分布：\n",
      " 0.00000    48\n",
      " 0.25000    40\n",
      "-0.05147    28\n",
      "-0.03788    22\n",
      "-0.02143    18\n",
      "            ..\n",
      " 0.00806     1\n",
      " 0.38158     1\n",
      " 0.35000     1\n",
      " 0.35526     1\n",
      "-0.20968     1\n",
      "Name: ETA_dBetaP, Length: 695, dtype: int64\n",
      "ETA_Beta_ns_d 的特征分布：\n",
      "1.0    633\n",
      "1.5    579\n",
      "0.5    374\n",
      "0.0    203\n",
      "2.0    146\n",
      "2.5     34\n",
      "3.0      2\n",
      "3.5      2\n",
      "4.0      1\n",
      "Name: ETA_Beta_ns_d, dtype: int64\n",
      "ETA_BetaP_ns_d 的特征分布：\n",
      "0.00000    203\n",
      "0.04545     98\n",
      "0.05000     76\n",
      "0.04412     74\n",
      "0.04286     65\n",
      "          ... \n",
      "0.12500      1\n",
      "0.08696      1\n",
      "0.13636      1\n",
      "0.11364      1\n",
      "0.05952      1\n",
      "Name: ETA_BetaP_ns_d, Length: 108, dtype: int64\n",
      "ETA_Eta 的特征分布：\n",
      "35.23951    6\n",
      "34.37530    3\n",
      "30.76060    3\n",
      "34.77733    3\n",
      "33.19105    3\n",
      "           ..\n",
      "14.91058    1\n",
      "13.19539    1\n",
      "15.55310    1\n",
      "15.56191    1\n",
      "34.61804    1\n",
      "Name: ETA_Eta, Length: 1875, dtype: int64\n",
      "ETA_EtaP 的特征分布：\n",
      "1.00684    6\n",
      "0.97621    3\n",
      "1.00652    3\n",
      "1.13312    3\n",
      "0.96127    3\n",
      "          ..\n",
      "0.68029    1\n",
      "0.71139    1\n",
      "0.74553    1\n",
      "0.69449    1\n",
      "0.84434    1\n",
      "Name: ETA_EtaP, Length: 1859, dtype: int64\n",
      "ETA_Eta_R 的特征分布：\n",
      "41.41897    11\n",
      "29.32683    10\n",
      "32.70318    10\n",
      "34.73695     9\n",
      "39.00682     8\n",
      "            ..\n",
      "38.23216     1\n",
      "39.20520     1\n",
      "73.01699     1\n",
      "63.06798     1\n",
      "86.65077     1\n",
      "Name: ETA_Eta_R, Length: 1457, dtype: int64\n",
      "ETA_Eta_F 的特征分布：\n",
      "34.64078    6\n",
      "30.55144    3\n",
      "33.64141    3\n",
      "6.64164     3\n",
      "38.94744    3\n",
      "           ..\n",
      "19.20812    1\n",
      "18.58538    1\n",
      "19.43191    1\n",
      "19.44485    1\n",
      "52.03272    1\n",
      "Name: ETA_Eta_F, Length: 1874, dtype: int64\n",
      "ETA_EtaP_F 的特征分布：\n",
      "0.98974    6\n",
      "1.20116    3\n",
      "0.89857    3\n",
      "0.90568    3\n",
      "1.01047    3\n",
      "          ..\n",
      "0.96113    1\n",
      "0.96065    1\n",
      "1.04282    1\n",
      "1.02416    1\n",
      "1.26909    1\n",
      "Name: ETA_EtaP_F, Length: 1845, dtype: int64\n",
      "ETA_Eta_L 的特征分布：\n",
      "8.72791    9\n",
      "8.69024    6\n",
      "9.15711    5\n",
      "9.50375    4\n",
      "7.04104    4\n",
      "          ..\n",
      "6.01752    1\n",
      "7.38228    1\n",
      "3.68416    1\n",
      "3.89747    1\n",
      "8.14761    1\n",
      "Name: ETA_Eta_L, Length: 1734, dtype: int64\n",
      "ETA_EtaP_L 的特征分布：\n",
      "0.24937    9\n",
      "0.26334    6\n",
      "0.17907    5\n",
      "0.20620    5\n",
      "0.25543    5\n",
      "          ..\n",
      "0.30617    1\n",
      "0.32467    1\n",
      "0.25108    1\n",
      "0.21984    1\n",
      "0.20891    1\n",
      "Name: ETA_EtaP_L, Length: 1631, dtype: int64\n",
      "ETA_Eta_R_L 的特征分布：\n",
      "10.07967    23\n",
      "16.58045    21\n",
      "16.15294    20\n",
      "9.96918     18\n",
      "9.55850     18\n",
      "            ..\n",
      "12.15215     1\n",
      "13.70346     1\n",
      "14.19015     1\n",
      "19.02914     1\n",
      "18.87007     1\n",
      "Name: ETA_Eta_R_L, Length: 1068, dtype: int64\n",
      "ETA_Eta_F_L 的特征分布：\n",
      "7.46270     10\n",
      "8.49582     10\n",
      "3.40959      9\n",
      "8.15706      9\n",
      "4.15756      9\n",
      "            ..\n",
      "5.85907      1\n",
      "6.07239      1\n",
      "5.80099      1\n",
      "8.61683      1\n",
      "10.72246     1\n",
      "Name: ETA_Eta_F_L, Length: 1523, dtype: int64\n",
      "ETA_EtaP_F_L 的特征分布：\n",
      "0.23306    9\n",
      "0.22614    6\n",
      "0.23599    5\n",
      "0.30980    5\n",
      "0.22962    5\n",
      "          ..\n",
      "0.20382    1\n",
      "0.17676    1\n",
      "0.17239    1\n",
      "0.23146    1\n",
      "0.27493    1\n",
      "Name: ETA_EtaP_F_L, Length: 1611, dtype: int64\n",
      "ETA_Eta_B 的特征分布：\n",
      "0.33433    55\n",
      "0.33355    40\n",
      "0.35038    34\n",
      "0.24501    33\n",
      "0.28301    31\n",
      "           ..\n",
      "0.44614     1\n",
      "0.70802     1\n",
      "0.30064     1\n",
      "0.51023     1\n",
      "0.54393     1\n",
      "Name: ETA_Eta_B, Length: 591, dtype: int64\n",
      "ETA_EtaP_B 的特征分布：\n",
      "0.01592    26\n",
      "0.00842    23\n",
      "0.01512    23\n",
      "0.00791    22\n",
      "0.00981    21\n",
      "           ..\n",
      "0.00924     1\n",
      "0.00628     1\n",
      "0.02559     1\n",
      "0.02601     1\n",
      "0.01395     1\n",
      "Name: ETA_EtaP_B, Length: 811, dtype: int64\n",
      "ETA_Eta_B_RC 的特征分布：\n",
      "0.59233    55\n",
      "0.76355    40\n",
      "0.50301    33\n",
      "0.78038    33\n",
      "0.54101    31\n",
      "           ..\n",
      "0.29400     1\n",
      "0.61814     1\n",
      "1.13802     1\n",
      "0.47264     1\n",
      "1.05993     1\n",
      "Name: ETA_Eta_B_RC, Length: 597, dtype: int64\n",
      "ETA_EtaP_B_RC 的特征分布：\n",
      "0.02821    25\n",
      "0.02740    24\n",
      "0.02094    21\n",
      "0.02246    21\n",
      "0.03067    19\n",
      "           ..\n",
      "0.01544     1\n",
      "0.02739     1\n",
      "0.02477     1\n",
      "0.02440     1\n",
      "0.02510     1\n",
      "Name: ETA_EtaP_B_RC, Length: 861, dtype: int64\n",
      "FMF 的特征分布：\n",
      "0.500000    133\n",
      "0.533333     49\n",
      "0.400000     33\n",
      "0.483871     31\n",
      "0.333333     30\n",
      "           ... \n",
      "0.280000      1\n",
      "0.351351      1\n",
      "0.413793      1\n",
      "0.376812      1\n",
      "0.387755      1\n",
      "Name: FMF, Length: 467, dtype: int64\n",
      "fragC 的特征分布：\n",
      "3639.06    22\n",
      "3300.06    18\n",
      "3994.05    15\n",
      "805.04     14\n",
      "3234.07    14\n",
      "           ..\n",
      "1997.07     1\n",
      "817.08      1\n",
      "2323.07     1\n",
      "938.06      1\n",
      "3694.05     1\n",
      "Name: fragC, Length: 974, dtype: int64\n",
      "nHBAcc 的特征分布：\n",
      "1     586\n",
      "3     404\n",
      "2     376\n",
      "4     203\n",
      "0     158\n",
      "6      81\n",
      "5      76\n",
      "7      54\n",
      "8      21\n",
      "9       5\n",
      "27      3\n",
      "25      2\n",
      "15      1\n",
      "13      1\n",
      "66      1\n",
      "29      1\n",
      "10      1\n",
      "Name: nHBAcc, dtype: int64\n",
      "nHBAcc2 的特征分布：\n",
      "5     466\n",
      "4     463\n",
      "6     259\n",
      "3     254\n",
      "2     183\n",
      "7     173\n",
      "8      73\n",
      "9      45\n",
      "1      30\n",
      "10     12\n",
      "11      4\n",
      "12      3\n",
      "27      3\n",
      "25      2\n",
      "0       1\n",
      "15      1\n",
      "66      1\n",
      "28      1\n",
      "Name: nHBAcc2, dtype: int64\n",
      "nHBAcc3 的特征分布：\n",
      "4     534\n",
      "5     481\n",
      "3     275\n",
      "6     239\n",
      "2     194\n",
      "7     139\n",
      "8      42\n",
      "1      31\n",
      "9      19\n",
      "10      6\n",
      "11      5\n",
      "17      3\n",
      "0       1\n",
      "12      1\n",
      "46      1\n",
      "16      1\n",
      "18      1\n",
      "15      1\n",
      "Name: nHBAcc3, dtype: int64\n",
      "nHBAcc_Lipinski 的特征分布：\n",
      "4     501\n",
      "5     483\n",
      "3     275\n",
      "6     256\n",
      "2     175\n",
      "7     130\n",
      "8      71\n",
      "9      38\n",
      "1      22\n",
      "10     11\n",
      "27      3\n",
      "11      2\n",
      "25      2\n",
      "15      1\n",
      "12      1\n",
      "14      1\n",
      "66      1\n",
      "29      1\n",
      "Name: nHBAcc_Lipinski, dtype: int64\n",
      "nHBDon 的特征分布：\n",
      "2     942\n",
      "1     630\n",
      "3     243\n",
      "0     126\n",
      "4      20\n",
      "6       3\n",
      "17      3\n",
      "5       2\n",
      "7       1\n",
      "46      1\n",
      "16      1\n",
      "18      1\n",
      "15      1\n",
      "Name: nHBDon, dtype: int64\n",
      "nHBDon_Lipinski 的特征分布：\n",
      "2     933\n",
      "1     620\n",
      "3     249\n",
      "0     126\n",
      "4      32\n",
      "6       3\n",
      "5       3\n",
      "22      3\n",
      "20      2\n",
      "7       1\n",
      "58      1\n",
      "23      1\n",
      "Name: nHBDon_Lipinski, dtype: int64\n",
      "HybRatio 的特征分布：\n",
      "0.000000    268\n",
      "0.333333    136\n",
      "0.250000     59\n",
      "0.357143     50\n",
      "0.310345     42\n",
      "           ... \n",
      "0.611111      1\n",
      "0.529412      1\n",
      "0.424242      1\n",
      "0.387097      1\n",
      "0.812500      1\n",
      "Name: HybRatio, Length: 218, dtype: int64\n",
      "Kier1 的特征分布：\n",
      "14.917355    114\n",
      "25.641274    102\n",
      "15.879017     99\n",
      "13.959184     89\n",
      "24.683711     87\n",
      "            ... \n",
      "31.526627      1\n",
      "35.478637      1\n",
      "37.457778      1\n",
      "39.438660      1\n",
      "32.542400      1\n",
      "Name: Kier1, Length: 139, dtype: int64\n",
      "Kier2 的特征分布：\n",
      "12.029904    57\n",
      "6.011719     47\n",
      "6.629936     45\n",
      "11.588477    40\n",
      "11.823145    38\n",
      "             ..\n",
      "10.714286     1\n",
      "9.288338      1\n",
      "18.298677     1\n",
      "9.333333      1\n",
      "14.400000     1\n",
      "Name: Kier2, Length: 326, dtype: int64\n",
      "Kier3 的特征分布：\n",
      "6.297163    32\n",
      "3.347107    31\n",
      "2.978908    30\n",
      "2.880000    26\n",
      "6.478367    26\n",
      "            ..\n",
      "5.019259     1\n",
      "4.231405     1\n",
      "8.698225     1\n",
      "6.000000     1\n",
      "6.658734     1\n",
      "Name: Kier3, Length: 561, dtype: int64\n",
      "nAtomLC 的特征分布：\n",
      "3      487\n",
      "0      366\n",
      "5      259\n",
      "4      247\n",
      "1      139\n",
      "2      127\n",
      "6      100\n",
      "7       83\n",
      "8       52\n",
      "9       25\n",
      "12      21\n",
      "10      16\n",
      "11      13\n",
      "13       5\n",
      "18       5\n",
      "14       5\n",
      "16       4\n",
      "15       3\n",
      "19       3\n",
      "20       3\n",
      "40       3\n",
      "21       2\n",
      "22       2\n",
      "128      1\n",
      "72       1\n",
      "76       1\n",
      "39       1\n",
      "Name: nAtomLC, dtype: int64\n",
      "nAtomP 的特征分布：\n",
      "17    235\n",
      "18    202\n",
      "8     193\n",
      "11    140\n",
      "7     136\n",
      "20    106\n",
      "19    100\n",
      "16     88\n",
      "10     83\n",
      "13     80\n",
      "22     66\n",
      "21     58\n",
      "26     54\n",
      "12     50\n",
      "15     48\n",
      "24     42\n",
      "9      41\n",
      "25     41\n",
      "23     34\n",
      "14     31\n",
      "2      31\n",
      "28     27\n",
      "30     19\n",
      "27     18\n",
      "29     17\n",
      "4      15\n",
      "31      7\n",
      "5       4\n",
      "6       3\n",
      "33      2\n",
      "0       1\n",
      "36      1\n",
      "3       1\n",
      "Name: nAtomP, dtype: int64\n",
      "nAtomLAC 的特征分布：\n",
      "0     807\n",
      "2     528\n",
      "3     358\n",
      "4     146\n",
      "5      36\n",
      "6      27\n",
      "8      23\n",
      "7      14\n",
      "11      8\n",
      "10      8\n",
      "9       6\n",
      "12      5\n",
      "16      3\n",
      "14      2\n",
      "18      2\n",
      "13      1\n",
      "Name: nAtomLAC, dtype: int64\n",
      "MLogP 的特征分布：\n",
      "3.99    120\n",
      "3.88    119\n",
      "2.89    114\n",
      "2.78    113\n",
      "3.00    111\n",
      "2.56    107\n",
      "2.67    106\n",
      "3.55    102\n",
      "3.66    100\n",
      "4.10     99\n",
      "3.77     97\n",
      "4.21     95\n",
      "3.44     95\n",
      "3.33     83\n",
      "3.22     79\n",
      "3.11     78\n",
      "2.45     77\n",
      "2.34     59\n",
      "4.32     49\n",
      "2.23     39\n",
      "4.43     28\n",
      "2.12     25\n",
      "4.54     19\n",
      "2.01      9\n",
      "4.65      9\n",
      "4.76      7\n",
      "5.09      5\n",
      "1.90      4\n",
      "5.20      4\n",
      "5.31      3\n",
      "4.98      3\n",
      "1.79      3\n",
      "4.87      3\n",
      "5.42      2\n",
      "1.57      2\n",
      "1.46      2\n",
      "5.53      2\n",
      "1.68      1\n",
      "5.75      1\n",
      "Name: MLogP, dtype: int64\n",
      "McGowan_Volume 的特征分布：\n",
      "3.6219    21\n",
      "3.4810    16\n",
      "1.9584    13\n",
      "3.6972    12\n",
      "3.7383    10\n",
      "          ..\n",
      "2.9938     1\n",
      "2.5459     1\n",
      "3.1229     1\n",
      "5.2483     1\n",
      "3.8795     1\n",
      "Name: McGowan_Volume, Length: 1273, dtype: int64\n",
      "MDEC-11 的特征分布：\n",
      "0.000000    1329\n",
      "0.500000      85\n",
      "0.166667      40\n",
      "0.125000      36\n",
      "0.142857      36\n",
      "            ... \n",
      "0.541021       1\n",
      "1.341641       1\n",
      "0.334716       1\n",
      "0.567593       1\n",
      "0.231865       1\n",
      "Name: MDEC-11, Length: 166, dtype: int64\n",
      "MDEC-12 的特征分布：\n",
      "0.000000    695\n",
      "6.574407      7\n",
      "4.917070      6\n",
      "2.176960      6\n",
      "2.744207      6\n",
      "           ... \n",
      "9.725103      1\n",
      "9.175576      1\n",
      "7.396614      1\n",
      "7.184354      1\n",
      "3.671961      1\n",
      "Name: MDEC-12, Length: 1039, dtype: int64\n",
      "MDEC-13 的特征分布：\n",
      "0.000000    695\n",
      "2.818101     11\n",
      "1.539297     10\n",
      "1.099721      8\n",
      "5.826383      8\n",
      "           ... \n",
      "6.493208      1\n",
      "7.128382      1\n",
      "9.012212      1\n",
      "5.917106      1\n",
      "2.855717      1\n",
      "Name: MDEC-13, Length: 932, dtype: int64\n",
      "MDEC-14 的特征分布：\n",
      "0.000000    1602\n",
      "1.000000      43\n",
      "0.250000      23\n",
      "0.500000      21\n",
      "0.333333      17\n",
      "            ... \n",
      "1.449037       1\n",
      "0.992337       1\n",
      "1.590541       1\n",
      "0.942809       1\n",
      "1.568274       1\n",
      "Name: MDEC-14, Length: 117, dtype: int64\n",
      "MDEC-22 的特征分布：\n",
      "0.000000     94\n",
      "23.567840    20\n",
      "13.077523    14\n",
      "28.949487    12\n",
      "15.626557    12\n",
      "             ..\n",
      "23.467078     1\n",
      "15.205010     1\n",
      "20.117506     1\n",
      "4.251415      1\n",
      "22.167929     1\n",
      "Name: MDEC-22, Length: 1144, dtype: int64\n",
      "MDEC-23 的特征分布：\n",
      "22.567575    12\n",
      "32.110604    11\n",
      "31.411977    11\n",
      "30.215274     9\n",
      "40.273065     8\n",
      "             ..\n",
      "16.542224     1\n",
      "7.907600      1\n",
      "12.629187     1\n",
      "35.401418     1\n",
      "28.738025     1\n",
      "Name: MDEC-23, Length: 1377, dtype: int64\n",
      "MDEC-24 的特征分布：\n",
      "0.000000     1538\n",
      "4.947782       14\n",
      "8.160878       12\n",
      "4.585756       12\n",
      "7.607373       10\n",
      "             ... \n",
      "3.329951        1\n",
      "6.850847        1\n",
      "7.805032        1\n",
      "10.560189       1\n",
      "2.105676        1\n",
      "Name: MDEC-24, Length: 283, dtype: int64\n",
      "MDEC-33 的特征分布：\n",
      "7.352074     33\n",
      "9.333258     32\n",
      "16.939931    32\n",
      "10.108065    30\n",
      "10.328977    30\n",
      "             ..\n",
      "10.111554     1\n",
      "8.949616      1\n",
      "5.761491      1\n",
      "9.914635      1\n",
      "11.887351     1\n",
      "Name: MDEC-33, Length: 844, dtype: int64\n",
      "MDEC-34 的特征分布：\n",
      "0.000000    1538\n",
      "3.117140      31\n",
      "5.282134      25\n",
      "2.620741      24\n",
      "2.803966      19\n",
      "            ... \n",
      "5.551934       1\n",
      "7.506174       1\n",
      "7.593409       1\n",
      "1.132161       1\n",
      "1.749456       1\n",
      "Name: MDEC-34, Length: 198, dtype: int64\n",
      "MDEC-44 的特征分布：\n",
      "0.000000    1884\n",
      "0.250000      32\n",
      "0.333333      16\n",
      "1.000000      15\n",
      "1.105209       9\n",
      "0.965489       4\n",
      "0.166667       4\n",
      "0.500000       3\n",
      "0.445192       1\n",
      "0.111111       1\n",
      "0.685007       1\n",
      "0.100000       1\n",
      "0.090909       1\n",
      "0.142857       1\n",
      "0.200000       1\n",
      "Name: MDEC-44, dtype: int64\n",
      "MDEO-11 的特征分布：\n",
      "0.000000    482\n",
      "0.100000    342\n",
      "0.090909    153\n",
      "0.166667     98\n",
      "0.111111     74\n",
      "           ... \n",
      "0.226943      1\n",
      "2.204707      1\n",
      "1.412188      1\n",
      "2.254720      1\n",
      "1.426069      1\n",
      "Name: MDEO-11, Length: 189, dtype: int64\n",
      "MDEO-12 的特征分布：\n",
      "0.000000    779\n",
      "0.495846     75\n",
      "0.100000     64\n",
      "0.365148     59\n",
      "0.174078     35\n",
      "           ... \n",
      "0.740824      1\n",
      "1.174990      1\n",
      "1.111048      1\n",
      "0.965991      1\n",
      "1.850440      1\n",
      "Name: MDEO-12, Length: 323, dtype: int64\n",
      "MDEO-22 的特征分布：\n",
      "0.000000    1409\n",
      "0.166667     193\n",
      "0.250000      55\n",
      "0.464159      47\n",
      "0.333333      40\n",
      "            ... \n",
      "0.400594       1\n",
      "0.352583       1\n",
      "0.931801       1\n",
      "0.496951       1\n",
      "0.772804       1\n",
      "Name: MDEO-22, Length: 75, dtype: int64\n",
      "MDEN-11 的特征分布：\n",
      "0.000000    1951\n",
      "0.250000       8\n",
      "0.500000       3\n",
      "1.406681       3\n",
      "0.142857       2\n",
      "0.090909       1\n",
      "0.100000       1\n",
      "0.655185       1\n",
      "0.066667       1\n",
      "1.005580       1\n",
      "1.286905       1\n",
      "0.987311       1\n",
      "Name: MDEN-11, dtype: int64\n",
      "MDEN-12 的特征分布：\n",
      "0.000000    1905\n",
      "0.250000       8\n",
      "0.200000       7\n",
      "0.166667       4\n",
      "0.534522       3\n",
      "5.977322       3\n",
      "0.333333       3\n",
      "1.632993       3\n",
      "1.414214       2\n",
      "0.577350       2\n",
      "0.058824       2\n",
      "0.062500       2\n",
      "0.750000       2\n",
      "0.655185       2\n",
      "0.671378       2\n",
      "6.362543       1\n",
      "0.125000       1\n",
      "0.766309       1\n",
      "0.436790       1\n",
      "0.301511       1\n",
      "0.353553       1\n",
      "0.447214       1\n",
      "0.071429       1\n",
      "4.936959       1\n",
      "1.220898       1\n",
      "0.707107       1\n",
      "0.421716       1\n",
      "0.100000       1\n",
      "0.759836       1\n",
      "1.290945       1\n",
      "0.669433       1\n",
      "0.873780       1\n",
      "0.793701       1\n",
      "0.388067       1\n",
      "1.074570       1\n",
      "0.142857       1\n",
      "0.500000       1\n",
      "0.696238       1\n",
      "4.769958       1\n",
      "Name: MDEN-12, dtype: int64\n",
      "MDEN-13 的特征分布：\n",
      "0.000000    1929\n",
      "0.408248       4\n",
      "0.500000       4\n",
      "0.066667       3\n",
      "0.071429       3\n",
      "0.090909       3\n",
      "0.250000       3\n",
      "0.142857       2\n",
      "0.175412       2\n",
      "0.200000       2\n",
      "0.277350       2\n",
      "0.166667       1\n",
      "0.666667       1\n",
      "0.181818       1\n",
      "0.076923       1\n",
      "0.202031       1\n",
      "0.355689       1\n",
      "0.409914       1\n",
      "0.329317       1\n",
      "0.814325       1\n",
      "0.603023       1\n",
      "0.267261       1\n",
      "0.111111       1\n",
      "0.577350       1\n",
      "0.272166       1\n",
      "0.516398       1\n",
      "0.471405       1\n",
      "0.333333       1\n",
      "Name: MDEN-13, dtype: int64\n",
      "MDEN-22 的特征分布：\n",
      "0.000000    1618\n",
      "1.000000      60\n",
      "2.381102      40\n",
      "0.200000      36\n",
      "0.500000      28\n",
      "            ... \n",
      "0.608220       1\n",
      "1.696063       1\n",
      "0.520021       1\n",
      "1.785490       1\n",
      "1.543082       1\n",
      "Name: MDEN-22, Length: 86, dtype: int64\n",
      "MDEN-23 的特征分布：\n",
      "0.000000    1628\n",
      "0.500000      48\n",
      "1.000000      31\n",
      "0.333333      21\n",
      "0.125000      11\n",
      "            ... \n",
      "1.503942       1\n",
      "1.272289       1\n",
      "0.825482       1\n",
      "0.288675       1\n",
      "0.800000       1\n",
      "Name: MDEN-23, Length: 131, dtype: int64\n",
      "MDEN-33 的特征分布：\n",
      "0.000000    1719\n",
      "0.111111     112\n",
      "0.333333      33\n",
      "0.125000      15\n",
      "0.250000      13\n",
      "0.142857      13\n",
      "0.550321      12\n",
      "0.608220      12\n",
      "0.100000       7\n",
      "0.504717       6\n",
      "0.685007       5\n",
      "0.500000       4\n",
      "0.386402       3\n",
      "0.200000       3\n",
      "0.090909       2\n",
      "0.467649       2\n",
      "0.076923       2\n",
      "0.166667       2\n",
      "0.444226       1\n",
      "0.436790       1\n",
      "0.909705       1\n",
      "1.000000       1\n",
      "0.965489       1\n",
      "0.908560       1\n",
      "0.793701       1\n",
      "0.482745       1\n",
      "0.062500       1\n",
      "Name: MDEN-33, dtype: int64\n",
      "MLFER_A 的特征分布：\n",
      "1.089    458\n",
      "0.546    362\n",
      "0.003    136\n",
      "1.134    104\n",
      "0.197     75\n",
      "        ... \n",
      "0.410      1\n",
      "1.460      1\n",
      "0.164      1\n",
      "0.448      1\n",
      "2.643      1\n",
      "Name: MLFER_A, Length: 216, dtype: int64\n",
      "MLFER_BH 的特征分布：\n",
      "2.159    20\n",
      "2.141    16\n",
      "2.163    16\n",
      "2.372    15\n",
      "2.262    15\n",
      "         ..\n",
      "0.595     1\n",
      "0.555     1\n",
      "2.153     1\n",
      "2.509     1\n",
      "1.533     1\n",
      "Name: MLFER_BH, Length: 994, dtype: int64\n",
      "MLFER_BO 的特征分布：\n",
      "0.849    21\n",
      "0.797    19\n",
      "2.226    19\n",
      "2.301    16\n",
      "2.206    16\n",
      "         ..\n",
      "1.845     1\n",
      "0.941     1\n",
      "2.138     1\n",
      "1.475     1\n",
      "1.218     1\n",
      "Name: MLFER_BO, Length: 935, dtype: int64\n",
      "MLFER_S 的特征分布：\n",
      "2.862    17\n",
      "3.119    15\n",
      "3.613    14\n",
      "2.901    13\n",
      "2.877    13\n",
      "         ..\n",
      "0.827     1\n",
      "0.996     1\n",
      "1.084     1\n",
      "3.711     1\n",
      "3.945     1\n",
      "Name: MLFER_S, Length: 1050, dtype: int64\n",
      "MLFER_E 的特征分布：\n",
      "3.118    17\n",
      "3.199    15\n",
      "3.511    14\n",
      "3.133    12\n",
      "2.098    12\n",
      "         ..\n",
      "2.044     1\n",
      "1.656     1\n",
      "3.148     1\n",
      "2.104     1\n",
      "3.495     1\n",
      "Name: MLFER_E, Length: 1007, dtype: int64\n",
      "MLFER_L 的特征分布：\n",
      "17.434    8\n",
      "17.662    8\n",
      "10.388    7\n",
      "16.411    7\n",
      "17.674    7\n",
      "         ..\n",
      "12.018    1\n",
      "11.391    1\n",
      "10.892    1\n",
      "10.393    1\n",
      "19.557    1\n",
      "Name: MLFER_L, Length: 1525, dtype: int64\n",
      "PetitjeanNumber 的特征分布：\n",
      "0.500000    946\n",
      "0.454545    270\n",
      "0.470588    234\n",
      "0.466667    149\n",
      "0.444444    126\n",
      "0.461538    103\n",
      "0.473684     66\n",
      "0.476190     21\n",
      "0.375000     15\n",
      "0.478261     11\n",
      "0.480000      9\n",
      "0.400000      9\n",
      "0.482759      6\n",
      "0.481481      3\n",
      "0.483871      2\n",
      "0.450000      1\n",
      "0.428571      1\n",
      "0.491803      1\n",
      "0.484848      1\n",
      "Name: PetitjeanNumber, dtype: int64\n",
      "nRing 的特征分布：\n",
      "3    615\n",
      "4    529\n",
      "5    506\n",
      "6    161\n",
      "2    126\n",
      "1     31\n",
      "7      5\n",
      "0      1\n",
      "Name: nRing, dtype: int64\n",
      "n3Ring 的特征分布：\n",
      "0    1961\n",
      "1      13\n",
      "Name: n3Ring, dtype: int64\n",
      "n4Ring 的特征分布：\n",
      "0    1956\n",
      "1      17\n",
      "2       1\n",
      "Name: n4Ring, dtype: int64\n",
      "n5Ring 的特征分布：\n",
      "0    860\n",
      "1    782\n",
      "2    293\n",
      "3     36\n",
      "4      3\n",
      "Name: n5Ring, dtype: int64\n",
      "n6Ring 的特征分布：\n",
      "3    731\n",
      "4    474\n",
      "2    435\n",
      "5    209\n",
      "1     97\n",
      "0     22\n",
      "6      6\n",
      "Name: n6Ring, dtype: int64\n",
      "n7Ring 的特征分布：\n",
      "0    1874\n",
      "1      92\n",
      "2       8\n",
      "Name: n7Ring, dtype: int64\n",
      "n8Ring 的特征分布：\n",
      "0    1970\n",
      "1       4\n",
      "Name: n8Ring, dtype: int64\n",
      "n9Ring 的特征分布：\n",
      "0    1974\n",
      "Name: n9Ring, dtype: int64\n",
      "n10Ring 的特征分布：\n",
      "0    1974\n",
      "Name: n10Ring, dtype: int64\n",
      "n11Ring 的特征分布：\n",
      "0    1974\n",
      "Name: n11Ring, dtype: int64\n",
      "n12Ring 的特征分布：\n",
      "0    1973\n",
      "1       1\n",
      "Name: n12Ring, dtype: int64\n",
      "nG12Ring 的特征分布：\n",
      "0    1969\n",
      "1       5\n",
      "Name: nG12Ring, dtype: int64\n",
      "nFRing 的特征分布：\n",
      "1     1119\n",
      "0      309\n",
      "6      249\n",
      "3      150\n",
      "2      100\n",
      "7       20\n",
      "4       17\n",
      "10       7\n",
      "12       1\n",
      "8        1\n",
      "5        1\n",
      "Name: nFRing, dtype: int64\n",
      "nF4Ring 的特征分布：\n",
      "0    1974\n",
      "Name: nF4Ring, dtype: int64\n",
      "nF5Ring 的特征分布：\n",
      "0    1974\n",
      "Name: nF5Ring, dtype: int64\n",
      "nF6Ring 的特征分布：\n",
      "0    1914\n",
      "1      46\n",
      "4      13\n",
      "3       1\n",
      "Name: nF6Ring, dtype: int64\n",
      "nF7Ring 的特征分布：\n",
      "0    1967\n",
      "1       6\n",
      "2       1\n",
      "Name: nF7Ring, dtype: int64\n",
      "nF8Ring 的特征分布：\n",
      "0    1915\n",
      "1      46\n",
      "3      13\n",
      "Name: nF8Ring, dtype: int64\n",
      "nF9Ring 的特征分布：\n",
      "0    1196\n",
      "1     557\n",
      "2     155\n",
      "3      64\n",
      "4       2\n",
      "Name: nF9Ring, dtype: int64\n",
      "nF10Ring 的特征分布：\n",
      "0    985\n",
      "1    803\n",
      "2    167\n",
      "3     19\n",
      "Name: nF10Ring, dtype: int64\n",
      "nF11Ring 的特征分布：\n",
      "0    1891\n",
      "2      54\n",
      "1      29\n",
      "Name: nF11Ring, dtype: int64\n",
      "nF12Ring 的特征分布：\n",
      "0    1894\n",
      "1      66\n",
      "2      13\n",
      "3       1\n",
      "Name: nF12Ring, dtype: int64\n",
      "nFG12Ring 的特征分布：\n",
      "0    1547\n",
      "1     176\n",
      "3     174\n",
      "2      69\n",
      "5       5\n",
      "6       3\n",
      "Name: nFG12Ring, dtype: int64\n",
      "nTRing 的特征分布：\n",
      "6     491\n",
      "4     446\n",
      "5     289\n",
      "7     137\n",
      "10    136\n",
      "3     128\n",
      "2     108\n",
      "11     62\n",
      "12     62\n",
      "8      44\n",
      "1      31\n",
      "9      22\n",
      "13      8\n",
      "15      7\n",
      "14      1\n",
      "17      1\n",
      "0       1\n",
      "Name: nTRing, dtype: int64\n",
      "nT4Ring 的特征分布：\n",
      "0    1956\n",
      "1      17\n",
      "2       1\n",
      "Name: nT4Ring, dtype: int64\n",
      "nT5Ring 的特征分布：\n",
      "0    860\n",
      "1    782\n",
      "2    293\n",
      "3     36\n",
      "4      3\n",
      "Name: nT5Ring, dtype: int64\n",
      "nT6Ring 的特征分布：\n",
      "3    717\n",
      "4    456\n",
      "2    423\n",
      "5    240\n",
      "1     96\n",
      "0     22\n",
      "6     19\n",
      "7      1\n",
      "Name: nT6Ring, dtype: int64\n",
      "nT7Ring 的特征分布：\n",
      "0    1867\n",
      "1      98\n",
      "2       9\n",
      "Name: nT7Ring, dtype: int64\n",
      "nT8Ring 的特征分布：\n",
      "0    1911\n",
      "1      50\n",
      "3      13\n",
      "Name: nT8Ring, dtype: int64\n",
      "nT9Ring 的特征分布：\n",
      "0    1196\n",
      "1     557\n",
      "2     155\n",
      "3      64\n",
      "4       2\n",
      "Name: nT9Ring, dtype: int64\n",
      "nT10Ring 的特征分布：\n",
      "0    985\n",
      "1    803\n",
      "2    167\n",
      "3     19\n",
      "Name: nT10Ring, dtype: int64\n",
      "nT11Ring 的特征分布：\n",
      "0    1891\n",
      "2      54\n",
      "1      29\n",
      "Name: nT11Ring, dtype: int64\n",
      "nT12Ring 的特征分布：\n",
      "0    1893\n",
      "1      67\n",
      "2      13\n",
      "3       1\n",
      "Name: nT12Ring, dtype: int64\n",
      "nTG12Ring 的特征分布：\n",
      "0    1542\n",
      "1     181\n",
      "3     174\n",
      "2      69\n",
      "5       5\n",
      "6       3\n",
      "Name: nTG12Ring, dtype: int64\n",
      "nRotB 的特征分布：\n",
      "6      338\n",
      "1      289\n",
      "5      225\n",
      "2      225\n",
      "7      222\n",
      "3      154\n",
      "4      139\n",
      "8       92\n",
      "9       75\n",
      "0       68\n",
      "10      38\n",
      "11      18\n",
      "14      17\n",
      "12      17\n",
      "15      13\n",
      "13       9\n",
      "17       6\n",
      "16       5\n",
      "18       4\n",
      "22       3\n",
      "37       3\n",
      "25       2\n",
      "21       2\n",
      "19       2\n",
      "20       2\n",
      "23       1\n",
      "101      1\n",
      "45       1\n",
      "49       1\n",
      "36       1\n",
      "24       1\n",
      "Name: nRotB, dtype: int64\n",
      "LipinskiFailures 的特征分布：\n",
      "0    1761\n",
      "1     147\n",
      "2      57\n",
      "3       8\n",
      "4       1\n",
      "Name: LipinskiFailures, dtype: int64\n",
      "TopoPSA 的特征分布：\n",
      "40.46     105\n",
      "87.46      72\n",
      "66.49      71\n",
      "60.77      58\n",
      "62.16      44\n",
      "         ... \n",
      "49.56       1\n",
      "97.41       1\n",
      "92.96       1\n",
      "182.86      1\n",
      "82.95       1\n",
      "Name: TopoPSA, Length: 621, dtype: int64\n",
      "VABC 的特征分布：\n",
      "439.300297    21\n",
      "422.004313    16\n",
      "452.746784    12\n",
      "223.201674    12\n",
      "444.053317    10\n",
      "              ..\n",
      "246.338518     1\n",
      "245.431826     1\n",
      "262.727811     1\n",
      "284.963321     1\n",
      "478.629177     1\n",
      "Name: VABC, Length: 1409, dtype: int64\n",
      "VAdjMat 的特征分布：\n",
      "5.392317    157\n",
      "5.321928    147\n",
      "6.087463    144\n",
      "5.459432    132\n",
      "6.044394    127\n",
      "6.129283    110\n",
      "5.247928    105\n",
      "6.000000    103\n",
      "5.523562     92\n",
      "5.954196     75\n",
      "6.169925     71\n",
      "5.906891     70\n",
      "5.643856     66\n",
      "5.584963     66\n",
      "5.700440     65\n",
      "5.169925     59\n",
      "5.754888     53\n",
      "5.857981     51\n",
      "5.807355     49\n",
      "6.209453     44\n",
      "6.247928     36\n",
      "6.285402     22\n",
      "6.357552     22\n",
      "6.321928     20\n",
      "5.087463     19\n",
      "6.426265     12\n",
      "5.000000     10\n",
      "6.392317      8\n",
      "6.554589      6\n",
      "4.906891      6\n",
      "6.459432      5\n",
      "6.523562      5\n",
      "6.584963      4\n",
      "7.266787      3\n",
      "4.807355      2\n",
      "6.491853      2\n",
      "6.882643      1\n",
      "8.348728      1\n",
      "7.169925      1\n",
      "7.339850      1\n",
      "7.209453      1\n",
      "6.832890      1\n",
      "Name: VAdjMat, dtype: int64\n",
      "MW 的特征分布：\n",
      "477.197380    21\n",
      "463.181729    16\n",
      "277.073893    12\n",
      "471.240958    12\n",
      "470.256943    10\n",
      "              ..\n",
      "556.233763     1\n",
      "360.147393     1\n",
      "417.157623     1\n",
      "421.132551     1\n",
      "538.145010     1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Name: MW, Length: 1316, dtype: int64\n",
      "WTPT-1 的特征分布：\n",
      "47.575753    11\n",
      "40.836976    10\n",
      "38.955546    10\n",
      "42.883311     9\n",
      "68.748923     8\n",
      "             ..\n",
      "44.498710     1\n",
      "73.148073     1\n",
      "70.711018     1\n",
      "66.828986     1\n",
      "84.660642     1\n",
      "Name: WTPT-1, Length: 1460, dtype: int64\n",
      "WTPT-2 的特征分布：\n",
      "2.068511    11\n",
      "2.041849    10\n",
      "2.050292    10\n",
      "2.042062     9\n",
      "2.083301     8\n",
      "            ..\n",
      "2.022669     1\n",
      "2.031891     1\n",
      "2.079736     1\n",
      "2.088406     1\n",
      "2.064894     1\n",
      "Name: WTPT-2, Length: 1460, dtype: int64\n",
      "WTPT-3 的特征分布：\n",
      "14.723890    7\n",
      "18.011114    6\n",
      "5.096770     6\n",
      "5.092732     6\n",
      "7.559880     5\n",
      "            ..\n",
      "8.697485     1\n",
      "8.687114     1\n",
      "11.278514    1\n",
      "5.087917     1\n",
      "24.923083    1\n",
      "Name: WTPT-3, Length: 1678, dtype: int64\n",
      "WTPT-4 的特征分布：\n",
      "0.000000     50\n",
      "5.096770     11\n",
      "5.063850      8\n",
      "5.087105      7\n",
      "5.054479      6\n",
      "             ..\n",
      "13.610350     1\n",
      "7.592018      1\n",
      "11.317284     1\n",
      "8.847292      1\n",
      "21.400883     1\n",
      "Name: WTPT-4, Length: 1571, dtype: int64\n",
      "WTPT-5 的特征分布：\n",
      "0.000000     492\n",
      "3.406644       8\n",
      "3.406716       7\n",
      "3.354436       7\n",
      "7.016543       6\n",
      "            ... \n",
      "3.517947       1\n",
      "3.501766       1\n",
      "3.491179       1\n",
      "3.481957       1\n",
      "15.838848      1\n",
      "Name: WTPT-5, Length: 1210, dtype: int64\n",
      "WPATH 的特征分布：\n",
      "1022    12\n",
      "694     12\n",
      "904     11\n",
      "612     11\n",
      "781     10\n",
      "        ..\n",
      "674      1\n",
      "681      1\n",
      "554      1\n",
      "2590     1\n",
      "6421     1\n",
      "Name: WPATH, Length: 1236, dtype: int64\n",
      "WPOL 的特征分布：\n",
      "35    82\n",
      "58    71\n",
      "34    63\n",
      "53    62\n",
      "54    61\n",
      "      ..\n",
      "14     1\n",
      "20     1\n",
      "82     1\n",
      "81     1\n",
      "94     1\n",
      "Name: WPOL, Length: 73, dtype: int64\n",
      "XLogP 的特征分布：\n",
      "2.701    9\n",
      "2.964    8\n",
      "3.662    8\n",
      "4.204    7\n",
      "3.066    7\n",
      "        ..\n",
      "2.515    1\n",
      "3.118    1\n",
      "2.512    1\n",
      "6.556    1\n",
      "4.267    1\n",
      "Name: XLogP, Length: 1432, dtype: int64\n",
      "Zagreb 的特征分布：\n",
      "182    69\n",
      "112    67\n",
      "114    57\n",
      "176    57\n",
      "108    54\n",
      "       ..\n",
      "262     1\n",
      "234     1\n",
      "260     1\n",
      "78      1\n",
      "314     1\n",
      "Name: Zagreb, Length: 98, dtype: int64\n",
      "pIC50 的特征分布：\n",
      "9.000    15\n",
      "9.699    14\n",
      "7.398    14\n",
      "8.523    13\n",
      "7.959    12\n",
      "         ..\n",
      "7.229     1\n",
      "6.253     1\n",
      "5.574     1\n",
      "6.354     1\n",
      "6.132     1\n",
      "Name: pIC50, Length: 1112, dtype: int64\n"
     ]
    }
   ],
   "source": [
    "for s in data.columns:\n",
    "    print(s,'的特征分布：')\n",
    "    print(data[s].value_counts())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 88,
   "id": "ec69fefa",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\seaborn\\distributions.py:2619: FutureWarning: `distplot` is a deprecated function and will be removed in a future version. Please adapt your code to use either `displot` (a figure-level function with similar flexibility) or `histplot` (an axes-level function for histograms).\n",
      "  warnings.warn(msg, FutureWarning)\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "<AxesSubplot:xlabel='pIC50', ylabel='Density'>"
      ]
     },
     "execution_count": 88,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "sns.distplot(data['pIC50'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "id": "7b08568a",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "225"
      ]
     },
     "execution_count": 56,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "corrlation['pIC50'].isna().sum()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 81,
   "id": "6b286a8f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1653"
      ]
     },
     "execution_count": 81,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#data['n10Ring'].value_counts()\n",
    "data['hmin'].nunique()\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 98,
   "id": "feb11683",
   "metadata": {},
   "outputs": [],
   "source": [
    "#删除数据只有一种的特征\n",
    "for  s in feature_train.columns:\n",
    "    if feature_train[s].nunique()==1:\n",
    "        del feature_train[s]    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 99,
   "id": "e7f49588",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(1974, 504)"
      ]
     },
     "execution_count": 99,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "feature_train.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 82,
   "id": "b39a65ec",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "hmin                -0.426366\n",
       "C1SP2               -0.406928\n",
       "ATSc3               -0.351857\n",
       "ETA_Epsilon_4       -0.351555\n",
       "mindO               -0.335270\n",
       "                       ...   \n",
       "maxsOH               0.466625\n",
       "LipoaffinityIndex    0.491857\n",
       "MLogP                0.529328\n",
       "MDEC-23              0.538053\n",
       "pIC50                1.000000\n",
       "Name: pIC50, Length: 505, dtype: float64"
      ]
     },
     "execution_count": 82,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "corrlation=data.corr()\n",
    "corrlation['pIC50'].sort_values()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 83,
   "id": "36d8a816",
   "metadata": {},
   "outputs": [],
   "source": [
    "cor_1=pd.DataFrame(corrlation['pIC50'])\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 86,
   "id": "f20100dd",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "pIC50    25\n",
       "dtype: int64"
      ]
     },
     "execution_count": 86,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cor_1=abs(cor_1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 87,
   "id": "464c2c71",
   "metadata": {},
   "outputs": [],
   "source": [
    "#应用随机森林来选择特征\n",
    "from sklearn.ensemble import RandomForestRegressor \n",
    "from sklearn.model_selection import train_test_split\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 100,
   "id": "011c8825",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\Aaron\\AppData\\Local\\Temp/ipykernel_23292/2995366988.py:2: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
      "  forest.fit(feature_train,label_train)\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "RandomForestRegressor(max_features=100, n_estimators=500, n_jobs=2,\n",
       "                      random_state=0)"
      ]
     },
     "execution_count": 100,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "forest = RandomForestRegressor(n_estimators=500, random_state=0, max_features=100,  n_jobs=2) \n",
    "forest.fit(feature_train,label_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 117,
   "id": "528072b7",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.0022934395476585487"
      ]
     },
     "execution_count": 117,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#sorted(forest.feature_importances_, reverse=True)\n",
    "forest.feature_importances_[2]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 228,
   "id": "db50c7ad",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>s</th>\n",
       "      <th>rank</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>0.000100</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>0.003281</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>0.002293</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>0.008669</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>0.002243</td>\n",
       "      <td>4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>499</th>\n",
       "      <td>0.004232</td>\n",
       "      <td>499</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>500</th>\n",
       "      <td>0.001057</td>\n",
       "      <td>500</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>501</th>\n",
       "      <td>0.000643</td>\n",
       "      <td>501</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>502</th>\n",
       "      <td>0.003805</td>\n",
       "      <td>502</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>503</th>\n",
       "      <td>0.000486</td>\n",
       "      <td>503</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>504 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "            s  rank\n",
       "0    0.000100     0\n",
       "1    0.003281     1\n",
       "2    0.002293     2\n",
       "3    0.008669     3\n",
       "4    0.002243     4\n",
       "..        ...   ...\n",
       "499  0.004232   499\n",
       "500  0.001057   500\n",
       "501  0.000643   501\n",
       "502  0.003805   502\n",
       "503  0.000486   503\n",
       "\n",
       "[504 rows x 2 columns]"
      ]
     },
     "execution_count": 228,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "feature_impor=pd.DataFrame(forest.feature_importances_)\n",
    "feature_impor['rank']=range(0,504)\n",
    "feature_impor.columns=['s','rank']\n",
    "feature_impor"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 229,
   "id": "6f3142d1",
   "metadata": {},
   "outputs": [],
   "source": [
    "feature_impor=feature_impor.sort_values(by='s',ascending=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 230,
   "id": "7468b9bc",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "56"
      ]
     },
     "execution_count": 230,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "choose_feature=[]\n",
    "for i in range(504):\n",
    "    if feature_impor.iloc[i,0]>=float(feature_impor['s'].quantile(0.89)):\n",
    "        choose_feature.append(feature_train.columns[feature_impor.iloc[i,1]])\n",
    "\n",
    "len(choose_feature)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 231,
   "id": "b3837e95",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>MDEC-23</th>\n",
       "      <th>LipoaffinityIndex</th>\n",
       "      <th>MLogP</th>\n",
       "      <th>nC</th>\n",
       "      <th>maxHsOH</th>\n",
       "      <th>minsssN</th>\n",
       "      <th>minHsOH</th>\n",
       "      <th>BCUTc-1l</th>\n",
       "      <th>maxssO</th>\n",
       "      <th>SHsOH</th>\n",
       "      <th>...</th>\n",
       "      <th>ATSp1</th>\n",
       "      <th>WTPT-4</th>\n",
       "      <th>CrippenLogP</th>\n",
       "      <th>nsOH</th>\n",
       "      <th>XLogP</th>\n",
       "      <th>VCH-5</th>\n",
       "      <th>ETA_BetaP_s</th>\n",
       "      <th>minHBint6</th>\n",
       "      <th>nHsOH</th>\n",
       "      <th>mindO</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>MDEC-23</th>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.708134</td>\n",
       "      <td>0.832241</td>\n",
       "      <td>0.775807</td>\n",
       "      <td>0.205894</td>\n",
       "      <td>0.486881</td>\n",
       "      <td>0.169654</td>\n",
       "      <td>-0.276885</td>\n",
       "      <td>0.408743</td>\n",
       "      <td>0.159171</td>\n",
       "      <td>...</td>\n",
       "      <td>0.694143</td>\n",
       "      <td>0.284029</td>\n",
       "      <td>0.626055</td>\n",
       "      <td>0.219097</td>\n",
       "      <td>0.372816</td>\n",
       "      <td>0.106946</td>\n",
       "      <td>0.008916</td>\n",
       "      <td>-0.173059</td>\n",
       "      <td>0.219097</td>\n",
       "      <td>-0.067162</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>LipoaffinityIndex</th>\n",
       "      <td>0.708134</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.891029</td>\n",
       "      <td>0.774522</td>\n",
       "      <td>0.024670</td>\n",
       "      <td>0.574888</td>\n",
       "      <td>0.025091</td>\n",
       "      <td>-0.122688</td>\n",
       "      <td>0.322083</td>\n",
       "      <td>-0.159268</td>\n",
       "      <td>...</td>\n",
       "      <td>0.622074</td>\n",
       "      <td>-0.114875</td>\n",
       "      <td>0.781812</td>\n",
       "      <td>-0.076578</td>\n",
       "      <td>0.719401</td>\n",
       "      <td>0.012981</td>\n",
       "      <td>-0.162217</td>\n",
       "      <td>-0.276929</td>\n",
       "      <td>-0.076578</td>\n",
       "      <td>-0.251658</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MLogP</th>\n",
       "      <td>0.832241</td>\n",
       "      <td>0.891029</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.909434</td>\n",
       "      <td>0.085157</td>\n",
       "      <td>0.529384</td>\n",
       "      <td>0.061318</td>\n",
       "      <td>-0.255074</td>\n",
       "      <td>0.399374</td>\n",
       "      <td>-0.021842</td>\n",
       "      <td>...</td>\n",
       "      <td>0.774221</td>\n",
       "      <td>0.158376</td>\n",
       "      <td>0.689403</td>\n",
       "      <td>0.090124</td>\n",
       "      <td>0.637601</td>\n",
       "      <td>0.065126</td>\n",
       "      <td>-0.201593</td>\n",
       "      <td>-0.233164</td>\n",
       "      <td>0.090124</td>\n",
       "      <td>-0.137389</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>nC</th>\n",
       "      <td>0.775807</td>\n",
       "      <td>0.774522</td>\n",
       "      <td>0.909434</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.002710</td>\n",
       "      <td>0.533325</td>\n",
       "      <td>-0.024062</td>\n",
       "      <td>-0.177045</td>\n",
       "      <td>0.443980</td>\n",
       "      <td>-0.056746</td>\n",
       "      <td>...</td>\n",
       "      <td>0.931981</td>\n",
       "      <td>0.391300</td>\n",
       "      <td>0.539211</td>\n",
       "      <td>0.035098</td>\n",
       "      <td>0.472318</td>\n",
       "      <td>0.111204</td>\n",
       "      <td>0.000823</td>\n",
       "      <td>-0.221541</td>\n",
       "      <td>0.035098</td>\n",
       "      <td>-0.010533</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>maxHsOH</th>\n",
       "      <td>0.205894</td>\n",
       "      <td>0.024670</td>\n",
       "      <td>0.085157</td>\n",
       "      <td>0.002710</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.052235</td>\n",
       "      <td>0.950769</td>\n",
       "      <td>-0.652815</td>\n",
       "      <td>0.054897</td>\n",
       "      <td>0.836405</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.092485</td>\n",
       "      <td>0.206140</td>\n",
       "      <td>0.135100</td>\n",
       "      <td>0.788405</td>\n",
       "      <td>0.038018</td>\n",
       "      <td>-0.290302</td>\n",
       "      <td>-0.280706</td>\n",
       "      <td>0.239523</td>\n",
       "      <td>0.788405</td>\n",
       "      <td>-0.203484</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minsssN</th>\n",
       "      <td>0.486881</td>\n",
       "      <td>0.574888</td>\n",
       "      <td>0.529384</td>\n",
       "      <td>0.533325</td>\n",
       "      <td>0.052235</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.088362</td>\n",
       "      <td>-0.153156</td>\n",
       "      <td>0.353748</td>\n",
       "      <td>-0.044227</td>\n",
       "      <td>...</td>\n",
       "      <td>0.493795</td>\n",
       "      <td>0.101451</td>\n",
       "      <td>0.332208</td>\n",
       "      <td>0.000538</td>\n",
       "      <td>0.095217</td>\n",
       "      <td>0.031578</td>\n",
       "      <td>0.262811</td>\n",
       "      <td>-0.166763</td>\n",
       "      <td>0.000538</td>\n",
       "      <td>-0.144182</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minHsOH</th>\n",
       "      <td>0.169654</td>\n",
       "      <td>0.025091</td>\n",
       "      <td>0.061318</td>\n",
       "      <td>-0.024062</td>\n",
       "      <td>0.950769</td>\n",
       "      <td>0.088362</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.602109</td>\n",
       "      <td>0.089461</td>\n",
       "      <td>0.749172</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.129834</td>\n",
       "      <td>0.163428</td>\n",
       "      <td>0.122011</td>\n",
       "      <td>0.679194</td>\n",
       "      <td>0.013169</td>\n",
       "      <td>-0.306239</td>\n",
       "      <td>-0.234901</td>\n",
       "      <td>0.226246</td>\n",
       "      <td>0.679194</td>\n",
       "      <td>-0.233683</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCUTc-1l</th>\n",
       "      <td>-0.276885</td>\n",
       "      <td>-0.122688</td>\n",
       "      <td>-0.255074</td>\n",
       "      <td>-0.177045</td>\n",
       "      <td>-0.652815</td>\n",
       "      <td>-0.153156</td>\n",
       "      <td>-0.602109</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.247030</td>\n",
       "      <td>-0.557629</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.097724</td>\n",
       "      <td>-0.322451</td>\n",
       "      <td>-0.121123</td>\n",
       "      <td>-0.631155</td>\n",
       "      <td>-0.110596</td>\n",
       "      <td>0.121110</td>\n",
       "      <td>0.189810</td>\n",
       "      <td>-0.106740</td>\n",
       "      <td>-0.631155</td>\n",
       "      <td>0.193009</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>maxssO</th>\n",
       "      <td>0.408743</td>\n",
       "      <td>0.322083</td>\n",
       "      <td>0.399374</td>\n",
       "      <td>0.443980</td>\n",
       "      <td>0.054897</td>\n",
       "      <td>0.353748</td>\n",
       "      <td>0.089461</td>\n",
       "      <td>-0.247030</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.022689</td>\n",
       "      <td>...</td>\n",
       "      <td>0.362702</td>\n",
       "      <td>0.551342</td>\n",
       "      <td>0.338802</td>\n",
       "      <td>0.051448</td>\n",
       "      <td>0.110652</td>\n",
       "      <td>0.074108</td>\n",
       "      <td>0.181366</td>\n",
       "      <td>0.077643</td>\n",
       "      <td>0.051448</td>\n",
       "      <td>-0.022380</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SHsOH</th>\n",
       "      <td>0.159171</td>\n",
       "      <td>-0.159268</td>\n",
       "      <td>-0.021842</td>\n",
       "      <td>-0.056746</td>\n",
       "      <td>0.836405</td>\n",
       "      <td>-0.044227</td>\n",
       "      <td>0.749172</td>\n",
       "      <td>-0.557629</td>\n",
       "      <td>0.022689</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.118607</td>\n",
       "      <td>0.337685</td>\n",
       "      <td>0.020024</td>\n",
       "      <td>0.958125</td>\n",
       "      <td>-0.101380</td>\n",
       "      <td>-0.237750</td>\n",
       "      <td>-0.161097</td>\n",
       "      <td>0.224630</td>\n",
       "      <td>0.958125</td>\n",
       "      <td>-0.189570</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>nHBAcc</th>\n",
       "      <td>-0.115243</td>\n",
       "      <td>-0.116825</td>\n",
       "      <td>-0.026372</td>\n",
       "      <td>0.321631</td>\n",
       "      <td>-0.410827</td>\n",
       "      <td>0.012518</td>\n",
       "      <td>-0.425683</td>\n",
       "      <td>0.294564</td>\n",
       "      <td>-0.068137</td>\n",
       "      <td>-0.365373</td>\n",
       "      <td>...</td>\n",
       "      <td>0.452646</td>\n",
       "      <td>0.291217</td>\n",
       "      <td>-0.379953</td>\n",
       "      <td>-0.374522</td>\n",
       "      <td>-0.247959</td>\n",
       "      <td>0.129077</td>\n",
       "      <td>0.317543</td>\n",
       "      <td>-0.073994</td>\n",
       "      <td>-0.374522</td>\n",
       "      <td>0.379997</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MLFER_A</th>\n",
       "      <td>0.166126</td>\n",
       "      <td>-0.082829</td>\n",
       "      <td>0.125160</td>\n",
       "      <td>0.228047</td>\n",
       "      <td>0.622245</td>\n",
       "      <td>-0.006522</td>\n",
       "      <td>0.546420</td>\n",
       "      <td>-0.438164</td>\n",
       "      <td>0.013090</td>\n",
       "      <td>0.765262</td>\n",
       "      <td>...</td>\n",
       "      <td>0.209575</td>\n",
       "      <td>0.420918</td>\n",
       "      <td>-0.107085</td>\n",
       "      <td>0.771052</td>\n",
       "      <td>-0.079694</td>\n",
       "      <td>-0.173470</td>\n",
       "      <td>-0.136329</td>\n",
       "      <td>0.134267</td>\n",
       "      <td>0.771052</td>\n",
       "      <td>-0.147409</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>maxsOH</th>\n",
       "      <td>0.289200</td>\n",
       "      <td>0.163803</td>\n",
       "      <td>0.251398</td>\n",
       "      <td>0.132552</td>\n",
       "      <td>0.910247</td>\n",
       "      <td>0.151627</td>\n",
       "      <td>0.879282</td>\n",
       "      <td>-0.752041</td>\n",
       "      <td>0.124590</td>\n",
       "      <td>0.727513</td>\n",
       "      <td>...</td>\n",
       "      <td>0.050900</td>\n",
       "      <td>0.178155</td>\n",
       "      <td>0.229058</td>\n",
       "      <td>0.782903</td>\n",
       "      <td>0.166541</td>\n",
       "      <td>-0.205403</td>\n",
       "      <td>-0.308485</td>\n",
       "      <td>0.153463</td>\n",
       "      <td>0.782903</td>\n",
       "      <td>-0.300017</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>maxsssN</th>\n",
       "      <td>0.488564</td>\n",
       "      <td>0.573018</td>\n",
       "      <td>0.528765</td>\n",
       "      <td>0.537149</td>\n",
       "      <td>0.039004</td>\n",
       "      <td>0.995618</td>\n",
       "      <td>0.076448</td>\n",
       "      <td>-0.145805</td>\n",
       "      <td>0.347401</td>\n",
       "      <td>-0.055008</td>\n",
       "      <td>...</td>\n",
       "      <td>0.501813</td>\n",
       "      <td>0.101717</td>\n",
       "      <td>0.322519</td>\n",
       "      <td>-0.010117</td>\n",
       "      <td>0.083530</td>\n",
       "      <td>0.035190</td>\n",
       "      <td>0.278328</td>\n",
       "      <td>-0.171093</td>\n",
       "      <td>-0.010117</td>\n",
       "      <td>-0.126261</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SsOH</th>\n",
       "      <td>0.231639</td>\n",
       "      <td>-0.057945</td>\n",
       "      <td>0.113881</td>\n",
       "      <td>0.056819</td>\n",
       "      <td>0.768205</td>\n",
       "      <td>0.014526</td>\n",
       "      <td>0.657183</td>\n",
       "      <td>-0.636509</td>\n",
       "      <td>0.063803</td>\n",
       "      <td>0.938708</td>\n",
       "      <td>...</td>\n",
       "      <td>0.012389</td>\n",
       "      <td>0.343575</td>\n",
       "      <td>0.095528</td>\n",
       "      <td>0.997917</td>\n",
       "      <td>0.006657</td>\n",
       "      <td>-0.162398</td>\n",
       "      <td>-0.201822</td>\n",
       "      <td>0.156990</td>\n",
       "      <td>0.997917</td>\n",
       "      <td>-0.241518</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minsOH</th>\n",
       "      <td>0.280981</td>\n",
       "      <td>0.170720</td>\n",
       "      <td>0.251495</td>\n",
       "      <td>0.129241</td>\n",
       "      <td>0.894224</td>\n",
       "      <td>0.164004</td>\n",
       "      <td>0.888996</td>\n",
       "      <td>-0.743064</td>\n",
       "      <td>0.132712</td>\n",
       "      <td>0.696856</td>\n",
       "      <td>...</td>\n",
       "      <td>0.045258</td>\n",
       "      <td>0.161343</td>\n",
       "      <td>0.229266</td>\n",
       "      <td>0.751524</td>\n",
       "      <td>0.167149</td>\n",
       "      <td>-0.205124</td>\n",
       "      <td>-0.300543</td>\n",
       "      <td>0.145555</td>\n",
       "      <td>0.751524</td>\n",
       "      <td>-0.312523</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATSp5</th>\n",
       "      <td>0.712786</td>\n",
       "      <td>0.598322</td>\n",
       "      <td>0.764607</td>\n",
       "      <td>0.890748</td>\n",
       "      <td>-0.051911</td>\n",
       "      <td>0.445211</td>\n",
       "      <td>-0.102746</td>\n",
       "      <td>-0.133574</td>\n",
       "      <td>0.318112</td>\n",
       "      <td>-0.079830</td>\n",
       "      <td>...</td>\n",
       "      <td>0.961924</td>\n",
       "      <td>0.390970</td>\n",
       "      <td>0.394181</td>\n",
       "      <td>0.028422</td>\n",
       "      <td>0.331927</td>\n",
       "      <td>0.191947</td>\n",
       "      <td>0.038456</td>\n",
       "      <td>-0.224171</td>\n",
       "      <td>0.028422</td>\n",
       "      <td>0.102335</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minssO</th>\n",
       "      <td>0.384934</td>\n",
       "      <td>0.312842</td>\n",
       "      <td>0.386689</td>\n",
       "      <td>0.426739</td>\n",
       "      <td>0.053458</td>\n",
       "      <td>0.343609</td>\n",
       "      <td>0.087479</td>\n",
       "      <td>-0.243943</td>\n",
       "      <td>0.996300</td>\n",
       "      <td>0.020178</td>\n",
       "      <td>...</td>\n",
       "      <td>0.346219</td>\n",
       "      <td>0.523643</td>\n",
       "      <td>0.329176</td>\n",
       "      <td>0.049154</td>\n",
       "      <td>0.110249</td>\n",
       "      <td>0.076297</td>\n",
       "      <td>0.171478</td>\n",
       "      <td>0.085631</td>\n",
       "      <td>0.049154</td>\n",
       "      <td>-0.020341</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>C1SP2</th>\n",
       "      <td>-0.290392</td>\n",
       "      <td>-0.310835</td>\n",
       "      <td>-0.264977</td>\n",
       "      <td>0.024759</td>\n",
       "      <td>-0.400968</td>\n",
       "      <td>-0.186569</td>\n",
       "      <td>-0.425127</td>\n",
       "      <td>0.363890</td>\n",
       "      <td>-0.122003</td>\n",
       "      <td>-0.338735</td>\n",
       "      <td>...</td>\n",
       "      <td>0.128303</td>\n",
       "      <td>0.218757</td>\n",
       "      <td>-0.410136</td>\n",
       "      <td>-0.385877</td>\n",
       "      <td>-0.299003</td>\n",
       "      <td>0.164179</td>\n",
       "      <td>0.373831</td>\n",
       "      <td>0.072341</td>\n",
       "      <td>-0.385877</td>\n",
       "      <td>0.370528</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AMR</th>\n",
       "      <td>0.723619</td>\n",
       "      <td>0.689239</td>\n",
       "      <td>0.808309</td>\n",
       "      <td>0.967694</td>\n",
       "      <td>-0.030252</td>\n",
       "      <td>0.547973</td>\n",
       "      <td>-0.048746</td>\n",
       "      <td>-0.105378</td>\n",
       "      <td>0.449118</td>\n",
       "      <td>-0.064893</td>\n",
       "      <td>...</td>\n",
       "      <td>0.949790</td>\n",
       "      <td>0.436380</td>\n",
       "      <td>0.485634</td>\n",
       "      <td>0.003616</td>\n",
       "      <td>0.349198</td>\n",
       "      <td>0.140862</td>\n",
       "      <td>0.106999</td>\n",
       "      <td>-0.228673</td>\n",
       "      <td>0.003616</td>\n",
       "      <td>0.024442</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minHBint5</th>\n",
       "      <td>-0.061913</td>\n",
       "      <td>-0.130684</td>\n",
       "      <td>-0.099787</td>\n",
       "      <td>-0.083352</td>\n",
       "      <td>0.086205</td>\n",
       "      <td>0.014998</td>\n",
       "      <td>0.097856</td>\n",
       "      <td>-0.071323</td>\n",
       "      <td>0.105162</td>\n",
       "      <td>0.171641</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.109757</td>\n",
       "      <td>0.163165</td>\n",
       "      <td>-0.074948</td>\n",
       "      <td>0.152546</td>\n",
       "      <td>-0.145466</td>\n",
       "      <td>0.011287</td>\n",
       "      <td>0.118686</td>\n",
       "      <td>0.048193</td>\n",
       "      <td>0.152546</td>\n",
       "      <td>-0.086103</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATSc3</th>\n",
       "      <td>-0.226781</td>\n",
       "      <td>-0.223062</td>\n",
       "      <td>-0.271654</td>\n",
       "      <td>-0.199347</td>\n",
       "      <td>-0.150678</td>\n",
       "      <td>-0.224177</td>\n",
       "      <td>-0.156077</td>\n",
       "      <td>0.257995</td>\n",
       "      <td>-0.203159</td>\n",
       "      <td>-0.156019</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.157213</td>\n",
       "      <td>-0.021094</td>\n",
       "      <td>-0.201042</td>\n",
       "      <td>-0.209639</td>\n",
       "      <td>-0.188790</td>\n",
       "      <td>-0.081301</td>\n",
       "      <td>0.111417</td>\n",
       "      <td>0.160975</td>\n",
       "      <td>-0.209639</td>\n",
       "      <td>0.352451</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SwHBa</th>\n",
       "      <td>0.731094</td>\n",
       "      <td>0.687595</td>\n",
       "      <td>0.692099</td>\n",
       "      <td>0.588646</td>\n",
       "      <td>0.067426</td>\n",
       "      <td>0.453991</td>\n",
       "      <td>0.090351</td>\n",
       "      <td>-0.035861</td>\n",
       "      <td>0.295526</td>\n",
       "      <td>-0.024376</td>\n",
       "      <td>...</td>\n",
       "      <td>0.503657</td>\n",
       "      <td>-0.039388</td>\n",
       "      <td>0.662920</td>\n",
       "      <td>-0.011097</td>\n",
       "      <td>0.360965</td>\n",
       "      <td>0.085600</td>\n",
       "      <td>-0.018843</td>\n",
       "      <td>-0.259954</td>\n",
       "      <td>-0.011097</td>\n",
       "      <td>-0.198502</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>maxHBd</th>\n",
       "      <td>-0.014119</td>\n",
       "      <td>-0.187608</td>\n",
       "      <td>-0.154935</td>\n",
       "      <td>-0.136069</td>\n",
       "      <td>0.721514</td>\n",
       "      <td>-0.133737</td>\n",
       "      <td>0.663014</td>\n",
       "      <td>-0.310166</td>\n",
       "      <td>-0.100440</td>\n",
       "      <td>0.631734</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.171812</td>\n",
       "      <td>0.143665</td>\n",
       "      <td>-0.108221</td>\n",
       "      <td>0.538416</td>\n",
       "      <td>-0.137380</td>\n",
       "      <td>-0.210528</td>\n",
       "      <td>-0.176465</td>\n",
       "      <td>0.257426</td>\n",
       "      <td>0.538416</td>\n",
       "      <td>-0.015405</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>VABC</th>\n",
       "      <td>0.589410</td>\n",
       "      <td>0.617023</td>\n",
       "      <td>0.759419</td>\n",
       "      <td>0.949198</td>\n",
       "      <td>-0.075033</td>\n",
       "      <td>0.471523</td>\n",
       "      <td>-0.102974</td>\n",
       "      <td>-0.120253</td>\n",
       "      <td>0.400505</td>\n",
       "      <td>-0.112855</td>\n",
       "      <td>...</td>\n",
       "      <td>0.934246</td>\n",
       "      <td>0.467163</td>\n",
       "      <td>0.358693</td>\n",
       "      <td>-0.026506</td>\n",
       "      <td>0.373384</td>\n",
       "      <td>0.108563</td>\n",
       "      <td>0.024161</td>\n",
       "      <td>-0.210039</td>\n",
       "      <td>-0.026506</td>\n",
       "      <td>0.069772</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>hmin</th>\n",
       "      <td>-0.616663</td>\n",
       "      <td>-0.533128</td>\n",
       "      <td>-0.637585</td>\n",
       "      <td>-0.689425</td>\n",
       "      <td>-0.088130</td>\n",
       "      <td>-0.563093</td>\n",
       "      <td>-0.083080</td>\n",
       "      <td>0.193115</td>\n",
       "      <td>-0.675410</td>\n",
       "      <td>-0.057936</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.669033</td>\n",
       "      <td>-0.472912</td>\n",
       "      <td>-0.479257</td>\n",
       "      <td>-0.123255</td>\n",
       "      <td>-0.206750</td>\n",
       "      <td>-0.109716</td>\n",
       "      <td>-0.150755</td>\n",
       "      <td>0.085074</td>\n",
       "      <td>-0.123255</td>\n",
       "      <td>0.113480</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>fragC</th>\n",
       "      <td>0.285682</td>\n",
       "      <td>0.365474</td>\n",
       "      <td>0.528781</td>\n",
       "      <td>0.748073</td>\n",
       "      <td>-0.086857</td>\n",
       "      <td>0.278194</td>\n",
       "      <td>-0.099360</td>\n",
       "      <td>-0.085271</td>\n",
       "      <td>0.199592</td>\n",
       "      <td>-0.113395</td>\n",
       "      <td>...</td>\n",
       "      <td>0.748252</td>\n",
       "      <td>0.368983</td>\n",
       "      <td>0.063015</td>\n",
       "      <td>-0.045934</td>\n",
       "      <td>0.234954</td>\n",
       "      <td>0.052730</td>\n",
       "      <td>-0.010321</td>\n",
       "      <td>-0.162272</td>\n",
       "      <td>-0.045934</td>\n",
       "      <td>0.002340</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCUTp-1h</th>\n",
       "      <td>0.525435</td>\n",
       "      <td>0.512477</td>\n",
       "      <td>0.574428</td>\n",
       "      <td>0.538151</td>\n",
       "      <td>0.003900</td>\n",
       "      <td>0.397089</td>\n",
       "      <td>-0.036670</td>\n",
       "      <td>-0.132132</td>\n",
       "      <td>0.166788</td>\n",
       "      <td>-0.085406</td>\n",
       "      <td>...</td>\n",
       "      <td>0.670423</td>\n",
       "      <td>0.019074</td>\n",
       "      <td>0.438496</td>\n",
       "      <td>0.023319</td>\n",
       "      <td>0.414321</td>\n",
       "      <td>0.246732</td>\n",
       "      <td>-0.258448</td>\n",
       "      <td>-0.289531</td>\n",
       "      <td>0.023319</td>\n",
       "      <td>0.019658</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>maxHBint5</th>\n",
       "      <td>-0.124779</td>\n",
       "      <td>-0.208549</td>\n",
       "      <td>-0.125077</td>\n",
       "      <td>-0.023272</td>\n",
       "      <td>0.046115</td>\n",
       "      <td>-0.001624</td>\n",
       "      <td>0.062790</td>\n",
       "      <td>-0.056924</td>\n",
       "      <td>0.084812</td>\n",
       "      <td>0.135971</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.021960</td>\n",
       "      <td>0.272807</td>\n",
       "      <td>-0.211662</td>\n",
       "      <td>0.120569</td>\n",
       "      <td>-0.226361</td>\n",
       "      <td>0.000319</td>\n",
       "      <td>0.183905</td>\n",
       "      <td>0.158293</td>\n",
       "      <td>0.120569</td>\n",
       "      <td>0.041090</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>mindssC</th>\n",
       "      <td>0.147425</td>\n",
       "      <td>0.172014</td>\n",
       "      <td>0.232506</td>\n",
       "      <td>0.090728</td>\n",
       "      <td>-0.137296</td>\n",
       "      <td>0.090915</td>\n",
       "      <td>-0.053652</td>\n",
       "      <td>-0.099279</td>\n",
       "      <td>0.017604</td>\n",
       "      <td>-0.112253</td>\n",
       "      <td>...</td>\n",
       "      <td>0.093131</td>\n",
       "      <td>-0.223875</td>\n",
       "      <td>0.168489</td>\n",
       "      <td>0.002504</td>\n",
       "      <td>0.229138</td>\n",
       "      <td>0.126108</td>\n",
       "      <td>-0.131047</td>\n",
       "      <td>-0.264463</td>\n",
       "      <td>0.002504</td>\n",
       "      <td>-0.465916</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>VC-5</th>\n",
       "      <td>0.131063</td>\n",
       "      <td>0.202064</td>\n",
       "      <td>0.278840</td>\n",
       "      <td>0.223036</td>\n",
       "      <td>-0.078250</td>\n",
       "      <td>0.040098</td>\n",
       "      <td>-0.191246</td>\n",
       "      <td>-0.206466</td>\n",
       "      <td>-0.087500</td>\n",
       "      <td>-0.109189</td>\n",
       "      <td>...</td>\n",
       "      <td>0.361399</td>\n",
       "      <td>-0.063004</td>\n",
       "      <td>0.104583</td>\n",
       "      <td>0.079995</td>\n",
       "      <td>0.282622</td>\n",
       "      <td>0.275637</td>\n",
       "      <td>-0.235056</td>\n",
       "      <td>-0.162566</td>\n",
       "      <td>0.079995</td>\n",
       "      <td>-0.010509</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCUTc-1h</th>\n",
       "      <td>-0.097087</td>\n",
       "      <td>-0.208878</td>\n",
       "      <td>-0.272630</td>\n",
       "      <td>-0.086032</td>\n",
       "      <td>-0.062248</td>\n",
       "      <td>-0.165105</td>\n",
       "      <td>-0.102780</td>\n",
       "      <td>0.193079</td>\n",
       "      <td>0.027378</td>\n",
       "      <td>-0.095526</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.030234</td>\n",
       "      <td>0.296246</td>\n",
       "      <td>-0.184397</td>\n",
       "      <td>-0.191934</td>\n",
       "      <td>-0.213073</td>\n",
       "      <td>-0.037077</td>\n",
       "      <td>0.241610</td>\n",
       "      <td>0.229725</td>\n",
       "      <td>-0.191934</td>\n",
       "      <td>0.636476</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATSc2</th>\n",
       "      <td>-0.167199</td>\n",
       "      <td>-0.090819</td>\n",
       "      <td>-0.143717</td>\n",
       "      <td>-0.468319</td>\n",
       "      <td>0.220636</td>\n",
       "      <td>-0.264878</td>\n",
       "      <td>0.213568</td>\n",
       "      <td>-0.073173</td>\n",
       "      <td>-0.412407</td>\n",
       "      <td>0.220676</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.498416</td>\n",
       "      <td>-0.625119</td>\n",
       "      <td>0.100754</td>\n",
       "      <td>0.245550</td>\n",
       "      <td>0.191403</td>\n",
       "      <td>-0.056351</td>\n",
       "      <td>-0.499061</td>\n",
       "      <td>-0.046367</td>\n",
       "      <td>0.245550</td>\n",
       "      <td>-0.302160</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATSc4</th>\n",
       "      <td>0.160613</td>\n",
       "      <td>0.322814</td>\n",
       "      <td>0.329822</td>\n",
       "      <td>0.396503</td>\n",
       "      <td>-0.060700</td>\n",
       "      <td>0.352520</td>\n",
       "      <td>-0.020309</td>\n",
       "      <td>-0.099485</td>\n",
       "      <td>0.207325</td>\n",
       "      <td>-0.164863</td>\n",
       "      <td>...</td>\n",
       "      <td>0.378382</td>\n",
       "      <td>0.055420</td>\n",
       "      <td>0.093587</td>\n",
       "      <td>-0.126773</td>\n",
       "      <td>0.175906</td>\n",
       "      <td>0.089859</td>\n",
       "      <td>-0.030249</td>\n",
       "      <td>-0.177880</td>\n",
       "      <td>-0.126773</td>\n",
       "      <td>-0.256011</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDEO-12</th>\n",
       "      <td>0.172243</td>\n",
       "      <td>-0.161593</td>\n",
       "      <td>0.012140</td>\n",
       "      <td>0.132725</td>\n",
       "      <td>0.060789</td>\n",
       "      <td>-0.075240</td>\n",
       "      <td>0.056472</td>\n",
       "      <td>-0.133433</td>\n",
       "      <td>0.600764</td>\n",
       "      <td>0.175149</td>\n",
       "      <td>...</td>\n",
       "      <td>0.115374</td>\n",
       "      <td>0.779107</td>\n",
       "      <td>-0.015259</td>\n",
       "      <td>0.161306</td>\n",
       "      <td>-0.206418</td>\n",
       "      <td>0.028418</td>\n",
       "      <td>0.266784</td>\n",
       "      <td>0.268884</td>\n",
       "      <td>0.161306</td>\n",
       "      <td>0.270608</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SPC-6</th>\n",
       "      <td>0.488091</td>\n",
       "      <td>0.329433</td>\n",
       "      <td>0.497440</td>\n",
       "      <td>0.581181</td>\n",
       "      <td>-0.035990</td>\n",
       "      <td>0.185594</td>\n",
       "      <td>-0.116853</td>\n",
       "      <td>-0.156621</td>\n",
       "      <td>0.127720</td>\n",
       "      <td>-0.025093</td>\n",
       "      <td>...</td>\n",
       "      <td>0.693602</td>\n",
       "      <td>0.325706</td>\n",
       "      <td>0.168267</td>\n",
       "      <td>0.103491</td>\n",
       "      <td>0.180145</td>\n",
       "      <td>0.176388</td>\n",
       "      <td>0.070683</td>\n",
       "      <td>-0.065566</td>\n",
       "      <td>0.103491</td>\n",
       "      <td>0.221824</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SdssC</th>\n",
       "      <td>0.213534</td>\n",
       "      <td>0.139724</td>\n",
       "      <td>0.167069</td>\n",
       "      <td>-0.059014</td>\n",
       "      <td>-0.118402</td>\n",
       "      <td>0.039634</td>\n",
       "      <td>-0.065015</td>\n",
       "      <td>-0.004068</td>\n",
       "      <td>0.009531</td>\n",
       "      <td>-0.120382</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.054084</td>\n",
       "      <td>-0.295065</td>\n",
       "      <td>0.282719</td>\n",
       "      <td>-0.064807</td>\n",
       "      <td>0.245406</td>\n",
       "      <td>0.131698</td>\n",
       "      <td>-0.179050</td>\n",
       "      <td>-0.183485</td>\n",
       "      <td>-0.064807</td>\n",
       "      <td>-0.127867</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SHBint6</th>\n",
       "      <td>-0.234439</td>\n",
       "      <td>-0.273420</td>\n",
       "      <td>-0.124930</td>\n",
       "      <td>0.140328</td>\n",
       "      <td>0.030868</td>\n",
       "      <td>-0.088280</td>\n",
       "      <td>0.032283</td>\n",
       "      <td>-0.004815</td>\n",
       "      <td>-0.046778</td>\n",
       "      <td>0.053941</td>\n",
       "      <td>...</td>\n",
       "      <td>0.208287</td>\n",
       "      <td>0.378464</td>\n",
       "      <td>-0.435805</td>\n",
       "      <td>0.027695</td>\n",
       "      <td>-0.215712</td>\n",
       "      <td>-0.140078</td>\n",
       "      <td>0.040833</td>\n",
       "      <td>0.309443</td>\n",
       "      <td>0.027695</td>\n",
       "      <td>0.217537</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SHBint5</th>\n",
       "      <td>-0.167111</td>\n",
       "      <td>-0.217035</td>\n",
       "      <td>-0.045257</td>\n",
       "      <td>0.195846</td>\n",
       "      <td>-0.025221</td>\n",
       "      <td>-0.050944</td>\n",
       "      <td>-0.021221</td>\n",
       "      <td>-0.010029</td>\n",
       "      <td>-0.007581</td>\n",
       "      <td>0.066222</td>\n",
       "      <td>...</td>\n",
       "      <td>0.235248</td>\n",
       "      <td>0.385145</td>\n",
       "      <td>-0.380500</td>\n",
       "      <td>0.064245</td>\n",
       "      <td>-0.201355</td>\n",
       "      <td>-0.029310</td>\n",
       "      <td>0.117630</td>\n",
       "      <td>0.105024</td>\n",
       "      <td>0.064245</td>\n",
       "      <td>0.107781</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDEC-33</th>\n",
       "      <td>0.557756</td>\n",
       "      <td>0.153330</td>\n",
       "      <td>0.343977</td>\n",
       "      <td>0.370283</td>\n",
       "      <td>0.158462</td>\n",
       "      <td>0.114767</td>\n",
       "      <td>0.123240</td>\n",
       "      <td>-0.188707</td>\n",
       "      <td>0.414666</td>\n",
       "      <td>0.255526</td>\n",
       "      <td>...</td>\n",
       "      <td>0.376334</td>\n",
       "      <td>0.485160</td>\n",
       "      <td>0.276791</td>\n",
       "      <td>0.293804</td>\n",
       "      <td>0.009897</td>\n",
       "      <td>0.084392</td>\n",
       "      <td>0.210382</td>\n",
       "      <td>0.183730</td>\n",
       "      <td>0.293804</td>\n",
       "      <td>0.138932</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minHBint10</th>\n",
       "      <td>0.194341</td>\n",
       "      <td>0.098503</td>\n",
       "      <td>0.119492</td>\n",
       "      <td>0.111664</td>\n",
       "      <td>0.368460</td>\n",
       "      <td>0.080757</td>\n",
       "      <td>0.358728</td>\n",
       "      <td>-0.263191</td>\n",
       "      <td>0.069112</td>\n",
       "      <td>0.441076</td>\n",
       "      <td>...</td>\n",
       "      <td>0.046788</td>\n",
       "      <td>0.132920</td>\n",
       "      <td>0.135356</td>\n",
       "      <td>0.432429</td>\n",
       "      <td>0.042906</td>\n",
       "      <td>-0.021826</td>\n",
       "      <td>-0.049909</td>\n",
       "      <td>0.000227</td>\n",
       "      <td>0.432429</td>\n",
       "      <td>-0.241175</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ndssC</th>\n",
       "      <td>0.047906</td>\n",
       "      <td>-0.173689</td>\n",
       "      <td>0.057396</td>\n",
       "      <td>0.277123</td>\n",
       "      <td>-0.280901</td>\n",
       "      <td>-0.119243</td>\n",
       "      <td>-0.286453</td>\n",
       "      <td>0.181761</td>\n",
       "      <td>0.039641</td>\n",
       "      <td>-0.244741</td>\n",
       "      <td>...</td>\n",
       "      <td>0.357343</td>\n",
       "      <td>0.394358</td>\n",
       "      <td>-0.322745</td>\n",
       "      <td>-0.262824</td>\n",
       "      <td>-0.096238</td>\n",
       "      <td>0.070540</td>\n",
       "      <td>0.067797</td>\n",
       "      <td>0.053910</td>\n",
       "      <td>-0.262824</td>\n",
       "      <td>0.500115</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>C3SP2</th>\n",
       "      <td>0.583630</td>\n",
       "      <td>0.382232</td>\n",
       "      <td>0.500653</td>\n",
       "      <td>0.391987</td>\n",
       "      <td>0.239666</td>\n",
       "      <td>0.031881</td>\n",
       "      <td>0.209826</td>\n",
       "      <td>-0.128560</td>\n",
       "      <td>0.172504</td>\n",
       "      <td>0.179739</td>\n",
       "      <td>...</td>\n",
       "      <td>0.289701</td>\n",
       "      <td>0.102410</td>\n",
       "      <td>0.339090</td>\n",
       "      <td>0.182515</td>\n",
       "      <td>0.325926</td>\n",
       "      <td>-0.113974</td>\n",
       "      <td>-0.296027</td>\n",
       "      <td>0.070193</td>\n",
       "      <td>0.182515</td>\n",
       "      <td>0.047750</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>WTPT-5</th>\n",
       "      <td>-0.139887</td>\n",
       "      <td>0.009337</td>\n",
       "      <td>-0.024095</td>\n",
       "      <td>0.276868</td>\n",
       "      <td>-0.452432</td>\n",
       "      <td>0.164648</td>\n",
       "      <td>-0.412646</td>\n",
       "      <td>0.394864</td>\n",
       "      <td>-0.129923</td>\n",
       "      <td>-0.414500</td>\n",
       "      <td>...</td>\n",
       "      <td>0.369428</td>\n",
       "      <td>-0.001536</td>\n",
       "      <td>-0.270670</td>\n",
       "      <td>-0.433728</td>\n",
       "      <td>-0.198666</td>\n",
       "      <td>0.101907</td>\n",
       "      <td>0.451984</td>\n",
       "      <td>-0.176075</td>\n",
       "      <td>-0.433728</td>\n",
       "      <td>0.077569</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TopoPSA</th>\n",
       "      <td>-0.082182</td>\n",
       "      <td>-0.283805</td>\n",
       "      <td>-0.082083</td>\n",
       "      <td>0.299296</td>\n",
       "      <td>-0.116541</td>\n",
       "      <td>-0.050830</td>\n",
       "      <td>-0.153514</td>\n",
       "      <td>0.086461</td>\n",
       "      <td>0.076019</td>\n",
       "      <td>0.035523</td>\n",
       "      <td>...</td>\n",
       "      <td>0.448653</td>\n",
       "      <td>0.583315</td>\n",
       "      <td>-0.347450</td>\n",
       "      <td>0.020561</td>\n",
       "      <td>-0.313747</td>\n",
       "      <td>0.160358</td>\n",
       "      <td>0.270680</td>\n",
       "      <td>0.006891</td>\n",
       "      <td>0.020561</td>\n",
       "      <td>0.274700</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minHBa</th>\n",
       "      <td>-0.144979</td>\n",
       "      <td>-0.147136</td>\n",
       "      <td>-0.075382</td>\n",
       "      <td>-0.250999</td>\n",
       "      <td>0.209862</td>\n",
       "      <td>-0.444281</td>\n",
       "      <td>0.208282</td>\n",
       "      <td>-0.204846</td>\n",
       "      <td>-0.275389</td>\n",
       "      <td>0.190787</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.363424</td>\n",
       "      <td>-0.152920</td>\n",
       "      <td>-0.166346</td>\n",
       "      <td>0.212597</td>\n",
       "      <td>0.126903</td>\n",
       "      <td>-0.271109</td>\n",
       "      <td>-0.434364</td>\n",
       "      <td>0.133890</td>\n",
       "      <td>0.212597</td>\n",
       "      <td>-0.127977</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATSp1</th>\n",
       "      <td>0.694143</td>\n",
       "      <td>0.622074</td>\n",
       "      <td>0.774221</td>\n",
       "      <td>0.931981</td>\n",
       "      <td>-0.092485</td>\n",
       "      <td>0.493795</td>\n",
       "      <td>-0.129834</td>\n",
       "      <td>-0.097724</td>\n",
       "      <td>0.362702</td>\n",
       "      <td>-0.118607</td>\n",
       "      <td>...</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.402613</td>\n",
       "      <td>0.428677</td>\n",
       "      <td>-0.012677</td>\n",
       "      <td>0.335792</td>\n",
       "      <td>0.242241</td>\n",
       "      <td>0.078450</td>\n",
       "      <td>-0.262416</td>\n",
       "      <td>-0.012677</td>\n",
       "      <td>0.080597</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>WTPT-4</th>\n",
       "      <td>0.284029</td>\n",
       "      <td>-0.114875</td>\n",
       "      <td>0.158376</td>\n",
       "      <td>0.391300</td>\n",
       "      <td>0.206140</td>\n",
       "      <td>0.101451</td>\n",
       "      <td>0.163428</td>\n",
       "      <td>-0.322451</td>\n",
       "      <td>0.551342</td>\n",
       "      <td>0.337685</td>\n",
       "      <td>...</td>\n",
       "      <td>0.402613</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.063065</td>\n",
       "      <td>0.341464</td>\n",
       "      <td>-0.220903</td>\n",
       "      <td>0.025641</td>\n",
       "      <td>0.261582</td>\n",
       "      <td>0.197127</td>\n",
       "      <td>0.341464</td>\n",
       "      <td>0.296443</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CrippenLogP</th>\n",
       "      <td>0.626055</td>\n",
       "      <td>0.781812</td>\n",
       "      <td>0.689403</td>\n",
       "      <td>0.539211</td>\n",
       "      <td>0.135100</td>\n",
       "      <td>0.332208</td>\n",
       "      <td>0.122011</td>\n",
       "      <td>-0.121123</td>\n",
       "      <td>0.338802</td>\n",
       "      <td>0.020024</td>\n",
       "      <td>...</td>\n",
       "      <td>0.428677</td>\n",
       "      <td>-0.063065</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.080985</td>\n",
       "      <td>0.703827</td>\n",
       "      <td>0.088519</td>\n",
       "      <td>-0.206687</td>\n",
       "      <td>-0.200469</td>\n",
       "      <td>0.080985</td>\n",
       "      <td>-0.227113</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>nsOH</th>\n",
       "      <td>0.219097</td>\n",
       "      <td>-0.076578</td>\n",
       "      <td>0.090124</td>\n",
       "      <td>0.035098</td>\n",
       "      <td>0.788405</td>\n",
       "      <td>0.000538</td>\n",
       "      <td>0.679194</td>\n",
       "      <td>-0.631155</td>\n",
       "      <td>0.051448</td>\n",
       "      <td>0.958125</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.012677</td>\n",
       "      <td>0.341464</td>\n",
       "      <td>0.080985</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.009919</td>\n",
       "      <td>-0.177305</td>\n",
       "      <td>-0.203483</td>\n",
       "      <td>0.169133</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.233955</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>XLogP</th>\n",
       "      <td>0.372816</td>\n",
       "      <td>0.719401</td>\n",
       "      <td>0.637601</td>\n",
       "      <td>0.472318</td>\n",
       "      <td>0.038018</td>\n",
       "      <td>0.095217</td>\n",
       "      <td>0.013169</td>\n",
       "      <td>-0.110596</td>\n",
       "      <td>0.110652</td>\n",
       "      <td>-0.101380</td>\n",
       "      <td>...</td>\n",
       "      <td>0.335792</td>\n",
       "      <td>-0.220903</td>\n",
       "      <td>0.703827</td>\n",
       "      <td>-0.009919</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.035078</td>\n",
       "      <td>-0.538203</td>\n",
       "      <td>-0.185567</td>\n",
       "      <td>-0.009919</td>\n",
       "      <td>-0.211810</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>VCH-5</th>\n",
       "      <td>0.106946</td>\n",
       "      <td>0.012981</td>\n",
       "      <td>0.065126</td>\n",
       "      <td>0.111204</td>\n",
       "      <td>-0.290302</td>\n",
       "      <td>0.031578</td>\n",
       "      <td>-0.306239</td>\n",
       "      <td>0.121110</td>\n",
       "      <td>0.074108</td>\n",
       "      <td>-0.237750</td>\n",
       "      <td>...</td>\n",
       "      <td>0.242241</td>\n",
       "      <td>0.025641</td>\n",
       "      <td>0.088519</td>\n",
       "      <td>-0.177305</td>\n",
       "      <td>-0.035078</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.195552</td>\n",
       "      <td>-0.177931</td>\n",
       "      <td>-0.177305</td>\n",
       "      <td>0.088705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ETA_BetaP_s</th>\n",
       "      <td>0.008916</td>\n",
       "      <td>-0.162217</td>\n",
       "      <td>-0.201593</td>\n",
       "      <td>0.000823</td>\n",
       "      <td>-0.280706</td>\n",
       "      <td>0.262811</td>\n",
       "      <td>-0.234901</td>\n",
       "      <td>0.189810</td>\n",
       "      <td>0.181366</td>\n",
       "      <td>-0.161097</td>\n",
       "      <td>...</td>\n",
       "      <td>0.078450</td>\n",
       "      <td>0.261582</td>\n",
       "      <td>-0.206687</td>\n",
       "      <td>-0.203483</td>\n",
       "      <td>-0.538203</td>\n",
       "      <td>0.195552</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.054857</td>\n",
       "      <td>-0.203483</td>\n",
       "      <td>0.078905</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>minHBint6</th>\n",
       "      <td>-0.173059</td>\n",
       "      <td>-0.276929</td>\n",
       "      <td>-0.233164</td>\n",
       "      <td>-0.221541</td>\n",
       "      <td>0.239523</td>\n",
       "      <td>-0.166763</td>\n",
       "      <td>0.226246</td>\n",
       "      <td>-0.106740</td>\n",
       "      <td>0.077643</td>\n",
       "      <td>0.224630</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.262416</td>\n",
       "      <td>0.197127</td>\n",
       "      <td>-0.200469</td>\n",
       "      <td>0.169133</td>\n",
       "      <td>-0.185567</td>\n",
       "      <td>-0.177931</td>\n",
       "      <td>0.054857</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.169133</td>\n",
       "      <td>0.206758</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>nHsOH</th>\n",
       "      <td>0.219097</td>\n",
       "      <td>-0.076578</td>\n",
       "      <td>0.090124</td>\n",
       "      <td>0.035098</td>\n",
       "      <td>0.788405</td>\n",
       "      <td>0.000538</td>\n",
       "      <td>0.679194</td>\n",
       "      <td>-0.631155</td>\n",
       "      <td>0.051448</td>\n",
       "      <td>0.958125</td>\n",
       "      <td>...</td>\n",
       "      <td>-0.012677</td>\n",
       "      <td>0.341464</td>\n",
       "      <td>0.080985</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.009919</td>\n",
       "      <td>-0.177305</td>\n",
       "      <td>-0.203483</td>\n",
       "      <td>0.169133</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>-0.233955</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>mindO</th>\n",
       "      <td>-0.067162</td>\n",
       "      <td>-0.251658</td>\n",
       "      <td>-0.137389</td>\n",
       "      <td>-0.010533</td>\n",
       "      <td>-0.203484</td>\n",
       "      <td>-0.144182</td>\n",
       "      <td>-0.233683</td>\n",
       "      <td>0.193009</td>\n",
       "      <td>-0.022380</td>\n",
       "      <td>-0.189570</td>\n",
       "      <td>...</td>\n",
       "      <td>0.080597</td>\n",
       "      <td>0.296443</td>\n",
       "      <td>-0.227113</td>\n",
       "      <td>-0.233955</td>\n",
       "      <td>-0.211810</td>\n",
       "      <td>0.088705</td>\n",
       "      <td>0.078905</td>\n",
       "      <td>0.206758</td>\n",
       "      <td>-0.233955</td>\n",
       "      <td>1.000000</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>56 rows × 56 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                    MDEC-23  LipoaffinityIndex     MLogP        nC   maxHsOH  \\\n",
       "MDEC-23            1.000000           0.708134  0.832241  0.775807  0.205894   \n",
       "LipoaffinityIndex  0.708134           1.000000  0.891029  0.774522  0.024670   \n",
       "MLogP              0.832241           0.891029  1.000000  0.909434  0.085157   \n",
       "nC                 0.775807           0.774522  0.909434  1.000000  0.002710   \n",
       "maxHsOH            0.205894           0.024670  0.085157  0.002710  1.000000   \n",
       "minsssN            0.486881           0.574888  0.529384  0.533325  0.052235   \n",
       "minHsOH            0.169654           0.025091  0.061318 -0.024062  0.950769   \n",
       "BCUTc-1l          -0.276885          -0.122688 -0.255074 -0.177045 -0.652815   \n",
       "maxssO             0.408743           0.322083  0.399374  0.443980  0.054897   \n",
       "SHsOH              0.159171          -0.159268 -0.021842 -0.056746  0.836405   \n",
       "nHBAcc            -0.115243          -0.116825 -0.026372  0.321631 -0.410827   \n",
       "MLFER_A            0.166126          -0.082829  0.125160  0.228047  0.622245   \n",
       "maxsOH             0.289200           0.163803  0.251398  0.132552  0.910247   \n",
       "maxsssN            0.488564           0.573018  0.528765  0.537149  0.039004   \n",
       "SsOH               0.231639          -0.057945  0.113881  0.056819  0.768205   \n",
       "minsOH             0.280981           0.170720  0.251495  0.129241  0.894224   \n",
       "ATSp5              0.712786           0.598322  0.764607  0.890748 -0.051911   \n",
       "minssO             0.384934           0.312842  0.386689  0.426739  0.053458   \n",
       "C1SP2             -0.290392          -0.310835 -0.264977  0.024759 -0.400968   \n",
       "AMR                0.723619           0.689239  0.808309  0.967694 -0.030252   \n",
       "minHBint5         -0.061913          -0.130684 -0.099787 -0.083352  0.086205   \n",
       "ATSc3             -0.226781          -0.223062 -0.271654 -0.199347 -0.150678   \n",
       "SwHBa              0.731094           0.687595  0.692099  0.588646  0.067426   \n",
       "maxHBd            -0.014119          -0.187608 -0.154935 -0.136069  0.721514   \n",
       "VABC               0.589410           0.617023  0.759419  0.949198 -0.075033   \n",
       "hmin              -0.616663          -0.533128 -0.637585 -0.689425 -0.088130   \n",
       "fragC              0.285682           0.365474  0.528781  0.748073 -0.086857   \n",
       "BCUTp-1h           0.525435           0.512477  0.574428  0.538151  0.003900   \n",
       "maxHBint5         -0.124779          -0.208549 -0.125077 -0.023272  0.046115   \n",
       "mindssC            0.147425           0.172014  0.232506  0.090728 -0.137296   \n",
       "VC-5               0.131063           0.202064  0.278840  0.223036 -0.078250   \n",
       "BCUTc-1h          -0.097087          -0.208878 -0.272630 -0.086032 -0.062248   \n",
       "ATSc2             -0.167199          -0.090819 -0.143717 -0.468319  0.220636   \n",
       "ATSc4              0.160613           0.322814  0.329822  0.396503 -0.060700   \n",
       "MDEO-12            0.172243          -0.161593  0.012140  0.132725  0.060789   \n",
       "SPC-6              0.488091           0.329433  0.497440  0.581181 -0.035990   \n",
       "SdssC              0.213534           0.139724  0.167069 -0.059014 -0.118402   \n",
       "SHBint6           -0.234439          -0.273420 -0.124930  0.140328  0.030868   \n",
       "SHBint5           -0.167111          -0.217035 -0.045257  0.195846 -0.025221   \n",
       "MDEC-33            0.557756           0.153330  0.343977  0.370283  0.158462   \n",
       "minHBint10         0.194341           0.098503  0.119492  0.111664  0.368460   \n",
       "ndssC              0.047906          -0.173689  0.057396  0.277123 -0.280901   \n",
       "C3SP2              0.583630           0.382232  0.500653  0.391987  0.239666   \n",
       "WTPT-5            -0.139887           0.009337 -0.024095  0.276868 -0.452432   \n",
       "TopoPSA           -0.082182          -0.283805 -0.082083  0.299296 -0.116541   \n",
       "minHBa            -0.144979          -0.147136 -0.075382 -0.250999  0.209862   \n",
       "ATSp1              0.694143           0.622074  0.774221  0.931981 -0.092485   \n",
       "WTPT-4             0.284029          -0.114875  0.158376  0.391300  0.206140   \n",
       "CrippenLogP        0.626055           0.781812  0.689403  0.539211  0.135100   \n",
       "nsOH               0.219097          -0.076578  0.090124  0.035098  0.788405   \n",
       "XLogP              0.372816           0.719401  0.637601  0.472318  0.038018   \n",
       "VCH-5              0.106946           0.012981  0.065126  0.111204 -0.290302   \n",
       "ETA_BetaP_s        0.008916          -0.162217 -0.201593  0.000823 -0.280706   \n",
       "minHBint6         -0.173059          -0.276929 -0.233164 -0.221541  0.239523   \n",
       "nHsOH              0.219097          -0.076578  0.090124  0.035098  0.788405   \n",
       "mindO             -0.067162          -0.251658 -0.137389 -0.010533 -0.203484   \n",
       "\n",
       "                    minsssN   minHsOH  BCUTc-1l    maxssO     SHsOH  ...  \\\n",
       "MDEC-23            0.486881  0.169654 -0.276885  0.408743  0.159171  ...   \n",
       "LipoaffinityIndex  0.574888  0.025091 -0.122688  0.322083 -0.159268  ...   \n",
       "MLogP              0.529384  0.061318 -0.255074  0.399374 -0.021842  ...   \n",
       "nC                 0.533325 -0.024062 -0.177045  0.443980 -0.056746  ...   \n",
       "maxHsOH            0.052235  0.950769 -0.652815  0.054897  0.836405  ...   \n",
       "minsssN            1.000000  0.088362 -0.153156  0.353748 -0.044227  ...   \n",
       "minHsOH            0.088362  1.000000 -0.602109  0.089461  0.749172  ...   \n",
       "BCUTc-1l          -0.153156 -0.602109  1.000000 -0.247030 -0.557629  ...   \n",
       "maxssO             0.353748  0.089461 -0.247030  1.000000  0.022689  ...   \n",
       "SHsOH             -0.044227  0.749172 -0.557629  0.022689  1.000000  ...   \n",
       "nHBAcc             0.012518 -0.425683  0.294564 -0.068137 -0.365373  ...   \n",
       "MLFER_A           -0.006522  0.546420 -0.438164  0.013090  0.765262  ...   \n",
       "maxsOH             0.151627  0.879282 -0.752041  0.124590  0.727513  ...   \n",
       "maxsssN            0.995618  0.076448 -0.145805  0.347401 -0.055008  ...   \n",
       "SsOH               0.014526  0.657183 -0.636509  0.063803  0.938708  ...   \n",
       "minsOH             0.164004  0.888996 -0.743064  0.132712  0.696856  ...   \n",
       "ATSp5              0.445211 -0.102746 -0.133574  0.318112 -0.079830  ...   \n",
       "minssO             0.343609  0.087479 -0.243943  0.996300  0.020178  ...   \n",
       "C1SP2             -0.186569 -0.425127  0.363890 -0.122003 -0.338735  ...   \n",
       "AMR                0.547973 -0.048746 -0.105378  0.449118 -0.064893  ...   \n",
       "minHBint5          0.014998  0.097856 -0.071323  0.105162  0.171641  ...   \n",
       "ATSc3             -0.224177 -0.156077  0.257995 -0.203159 -0.156019  ...   \n",
       "SwHBa              0.453991  0.090351 -0.035861  0.295526 -0.024376  ...   \n",
       "maxHBd            -0.133737  0.663014 -0.310166 -0.100440  0.631734  ...   \n",
       "VABC               0.471523 -0.102974 -0.120253  0.400505 -0.112855  ...   \n",
       "hmin              -0.563093 -0.083080  0.193115 -0.675410 -0.057936  ...   \n",
       "fragC              0.278194 -0.099360 -0.085271  0.199592 -0.113395  ...   \n",
       "BCUTp-1h           0.397089 -0.036670 -0.132132  0.166788 -0.085406  ...   \n",
       "maxHBint5         -0.001624  0.062790 -0.056924  0.084812  0.135971  ...   \n",
       "mindssC            0.090915 -0.053652 -0.099279  0.017604 -0.112253  ...   \n",
       "VC-5               0.040098 -0.191246 -0.206466 -0.087500 -0.109189  ...   \n",
       "BCUTc-1h          -0.165105 -0.102780  0.193079  0.027378 -0.095526  ...   \n",
       "ATSc2             -0.264878  0.213568 -0.073173 -0.412407  0.220676  ...   \n",
       "ATSc4              0.352520 -0.020309 -0.099485  0.207325 -0.164863  ...   \n",
       "MDEO-12           -0.075240  0.056472 -0.133433  0.600764  0.175149  ...   \n",
       "SPC-6              0.185594 -0.116853 -0.156621  0.127720 -0.025093  ...   \n",
       "SdssC              0.039634 -0.065015 -0.004068  0.009531 -0.120382  ...   \n",
       "SHBint6           -0.088280  0.032283 -0.004815 -0.046778  0.053941  ...   \n",
       "SHBint5           -0.050944 -0.021221 -0.010029 -0.007581  0.066222  ...   \n",
       "MDEC-33            0.114767  0.123240 -0.188707  0.414666  0.255526  ...   \n",
       "minHBint10         0.080757  0.358728 -0.263191  0.069112  0.441076  ...   \n",
       "ndssC             -0.119243 -0.286453  0.181761  0.039641 -0.244741  ...   \n",
       "C3SP2              0.031881  0.209826 -0.128560  0.172504  0.179739  ...   \n",
       "WTPT-5             0.164648 -0.412646  0.394864 -0.129923 -0.414500  ...   \n",
       "TopoPSA           -0.050830 -0.153514  0.086461  0.076019  0.035523  ...   \n",
       "minHBa            -0.444281  0.208282 -0.204846 -0.275389  0.190787  ...   \n",
       "ATSp1              0.493795 -0.129834 -0.097724  0.362702 -0.118607  ...   \n",
       "WTPT-4             0.101451  0.163428 -0.322451  0.551342  0.337685  ...   \n",
       "CrippenLogP        0.332208  0.122011 -0.121123  0.338802  0.020024  ...   \n",
       "nsOH               0.000538  0.679194 -0.631155  0.051448  0.958125  ...   \n",
       "XLogP              0.095217  0.013169 -0.110596  0.110652 -0.101380  ...   \n",
       "VCH-5              0.031578 -0.306239  0.121110  0.074108 -0.237750  ...   \n",
       "ETA_BetaP_s        0.262811 -0.234901  0.189810  0.181366 -0.161097  ...   \n",
       "minHBint6         -0.166763  0.226246 -0.106740  0.077643  0.224630  ...   \n",
       "nHsOH              0.000538  0.679194 -0.631155  0.051448  0.958125  ...   \n",
       "mindO             -0.144182 -0.233683  0.193009 -0.022380 -0.189570  ...   \n",
       "\n",
       "                      ATSp1    WTPT-4  CrippenLogP      nsOH     XLogP  \\\n",
       "MDEC-23            0.694143  0.284029     0.626055  0.219097  0.372816   \n",
       "LipoaffinityIndex  0.622074 -0.114875     0.781812 -0.076578  0.719401   \n",
       "MLogP              0.774221  0.158376     0.689403  0.090124  0.637601   \n",
       "nC                 0.931981  0.391300     0.539211  0.035098  0.472318   \n",
       "maxHsOH           -0.092485  0.206140     0.135100  0.788405  0.038018   \n",
       "minsssN            0.493795  0.101451     0.332208  0.000538  0.095217   \n",
       "minHsOH           -0.129834  0.163428     0.122011  0.679194  0.013169   \n",
       "BCUTc-1l          -0.097724 -0.322451    -0.121123 -0.631155 -0.110596   \n",
       "maxssO             0.362702  0.551342     0.338802  0.051448  0.110652   \n",
       "SHsOH             -0.118607  0.337685     0.020024  0.958125 -0.101380   \n",
       "nHBAcc             0.452646  0.291217    -0.379953 -0.374522 -0.247959   \n",
       "MLFER_A            0.209575  0.420918    -0.107085  0.771052 -0.079694   \n",
       "maxsOH             0.050900  0.178155     0.229058  0.782903  0.166541   \n",
       "maxsssN            0.501813  0.101717     0.322519 -0.010117  0.083530   \n",
       "SsOH               0.012389  0.343575     0.095528  0.997917  0.006657   \n",
       "minsOH             0.045258  0.161343     0.229266  0.751524  0.167149   \n",
       "ATSp5              0.961924  0.390970     0.394181  0.028422  0.331927   \n",
       "minssO             0.346219  0.523643     0.329176  0.049154  0.110249   \n",
       "C1SP2              0.128303  0.218757    -0.410136 -0.385877 -0.299003   \n",
       "AMR                0.949790  0.436380     0.485634  0.003616  0.349198   \n",
       "minHBint5         -0.109757  0.163165    -0.074948  0.152546 -0.145466   \n",
       "ATSc3             -0.157213 -0.021094    -0.201042 -0.209639 -0.188790   \n",
       "SwHBa              0.503657 -0.039388     0.662920 -0.011097  0.360965   \n",
       "maxHBd            -0.171812  0.143665    -0.108221  0.538416 -0.137380   \n",
       "VABC               0.934246  0.467163     0.358693 -0.026506  0.373384   \n",
       "hmin              -0.669033 -0.472912    -0.479257 -0.123255 -0.206750   \n",
       "fragC              0.748252  0.368983     0.063015 -0.045934  0.234954   \n",
       "BCUTp-1h           0.670423  0.019074     0.438496  0.023319  0.414321   \n",
       "maxHBint5         -0.021960  0.272807    -0.211662  0.120569 -0.226361   \n",
       "mindssC            0.093131 -0.223875     0.168489  0.002504  0.229138   \n",
       "VC-5               0.361399 -0.063004     0.104583  0.079995  0.282622   \n",
       "BCUTc-1h          -0.030234  0.296246    -0.184397 -0.191934 -0.213073   \n",
       "ATSc2             -0.498416 -0.625119     0.100754  0.245550  0.191403   \n",
       "ATSc4              0.378382  0.055420     0.093587 -0.126773  0.175906   \n",
       "MDEO-12            0.115374  0.779107    -0.015259  0.161306 -0.206418   \n",
       "SPC-6              0.693602  0.325706     0.168267  0.103491  0.180145   \n",
       "SdssC             -0.054084 -0.295065     0.282719 -0.064807  0.245406   \n",
       "SHBint6            0.208287  0.378464    -0.435805  0.027695 -0.215712   \n",
       "SHBint5            0.235248  0.385145    -0.380500  0.064245 -0.201355   \n",
       "MDEC-33            0.376334  0.485160     0.276791  0.293804  0.009897   \n",
       "minHBint10         0.046788  0.132920     0.135356  0.432429  0.042906   \n",
       "ndssC              0.357343  0.394358    -0.322745 -0.262824 -0.096238   \n",
       "C3SP2              0.289701  0.102410     0.339090  0.182515  0.325926   \n",
       "WTPT-5             0.369428 -0.001536    -0.270670 -0.433728 -0.198666   \n",
       "TopoPSA            0.448653  0.583315    -0.347450  0.020561 -0.313747   \n",
       "minHBa            -0.363424 -0.152920    -0.166346  0.212597  0.126903   \n",
       "ATSp1              1.000000  0.402613     0.428677 -0.012677  0.335792   \n",
       "WTPT-4             0.402613  1.000000    -0.063065  0.341464 -0.220903   \n",
       "CrippenLogP        0.428677 -0.063065     1.000000  0.080985  0.703827   \n",
       "nsOH              -0.012677  0.341464     0.080985  1.000000 -0.009919   \n",
       "XLogP              0.335792 -0.220903     0.703827 -0.009919  1.000000   \n",
       "VCH-5              0.242241  0.025641     0.088519 -0.177305 -0.035078   \n",
       "ETA_BetaP_s        0.078450  0.261582    -0.206687 -0.203483 -0.538203   \n",
       "minHBint6         -0.262416  0.197127    -0.200469  0.169133 -0.185567   \n",
       "nHsOH             -0.012677  0.341464     0.080985  1.000000 -0.009919   \n",
       "mindO              0.080597  0.296443    -0.227113 -0.233955 -0.211810   \n",
       "\n",
       "                      VCH-5  ETA_BetaP_s  minHBint6     nHsOH     mindO  \n",
       "MDEC-23            0.106946     0.008916  -0.173059  0.219097 -0.067162  \n",
       "LipoaffinityIndex  0.012981    -0.162217  -0.276929 -0.076578 -0.251658  \n",
       "MLogP              0.065126    -0.201593  -0.233164  0.090124 -0.137389  \n",
       "nC                 0.111204     0.000823  -0.221541  0.035098 -0.010533  \n",
       "maxHsOH           -0.290302    -0.280706   0.239523  0.788405 -0.203484  \n",
       "minsssN            0.031578     0.262811  -0.166763  0.000538 -0.144182  \n",
       "minHsOH           -0.306239    -0.234901   0.226246  0.679194 -0.233683  \n",
       "BCUTc-1l           0.121110     0.189810  -0.106740 -0.631155  0.193009  \n",
       "maxssO             0.074108     0.181366   0.077643  0.051448 -0.022380  \n",
       "SHsOH             -0.237750    -0.161097   0.224630  0.958125 -0.189570  \n",
       "nHBAcc             0.129077     0.317543  -0.073994 -0.374522  0.379997  \n",
       "MLFER_A           -0.173470    -0.136329   0.134267  0.771052 -0.147409  \n",
       "maxsOH            -0.205403    -0.308485   0.153463  0.782903 -0.300017  \n",
       "maxsssN            0.035190     0.278328  -0.171093 -0.010117 -0.126261  \n",
       "SsOH              -0.162398    -0.201822   0.156990  0.997917 -0.241518  \n",
       "minsOH            -0.205124    -0.300543   0.145555  0.751524 -0.312523  \n",
       "ATSp5              0.191947     0.038456  -0.224171  0.028422  0.102335  \n",
       "minssO             0.076297     0.171478   0.085631  0.049154 -0.020341  \n",
       "C1SP2              0.164179     0.373831   0.072341 -0.385877  0.370528  \n",
       "AMR                0.140862     0.106999  -0.228673  0.003616  0.024442  \n",
       "minHBint5          0.011287     0.118686   0.048193  0.152546 -0.086103  \n",
       "ATSc3             -0.081301     0.111417   0.160975 -0.209639  0.352451  \n",
       "SwHBa              0.085600    -0.018843  -0.259954 -0.011097 -0.198502  \n",
       "maxHBd            -0.210528    -0.176465   0.257426  0.538416 -0.015405  \n",
       "VABC               0.108563     0.024161  -0.210039 -0.026506  0.069772  \n",
       "hmin              -0.109716    -0.150755   0.085074 -0.123255  0.113480  \n",
       "fragC              0.052730    -0.010321  -0.162272 -0.045934  0.002340  \n",
       "BCUTp-1h           0.246732    -0.258448  -0.289531  0.023319  0.019658  \n",
       "maxHBint5          0.000319     0.183905   0.158293  0.120569  0.041090  \n",
       "mindssC            0.126108    -0.131047  -0.264463  0.002504 -0.465916  \n",
       "VC-5               0.275637    -0.235056  -0.162566  0.079995 -0.010509  \n",
       "BCUTc-1h          -0.037077     0.241610   0.229725 -0.191934  0.636476  \n",
       "ATSc2             -0.056351    -0.499061  -0.046367  0.245550 -0.302160  \n",
       "ATSc4              0.089859    -0.030249  -0.177880 -0.126773 -0.256011  \n",
       "MDEO-12            0.028418     0.266784   0.268884  0.161306  0.270608  \n",
       "SPC-6              0.176388     0.070683  -0.065566  0.103491  0.221824  \n",
       "SdssC              0.131698    -0.179050  -0.183485 -0.064807 -0.127867  \n",
       "SHBint6           -0.140078     0.040833   0.309443  0.027695  0.217537  \n",
       "SHBint5           -0.029310     0.117630   0.105024  0.064245  0.107781  \n",
       "MDEC-33            0.084392     0.210382   0.183730  0.293804  0.138932  \n",
       "minHBint10        -0.021826    -0.049909   0.000227  0.432429 -0.241175  \n",
       "ndssC              0.070540     0.067797   0.053910 -0.262824  0.500115  \n",
       "C3SP2             -0.113974    -0.296027   0.070193  0.182515  0.047750  \n",
       "WTPT-5             0.101907     0.451984  -0.176075 -0.433728  0.077569  \n",
       "TopoPSA            0.160358     0.270680   0.006891  0.020561  0.274700  \n",
       "minHBa            -0.271109    -0.434364   0.133890  0.212597 -0.127977  \n",
       "ATSp1              0.242241     0.078450  -0.262416 -0.012677  0.080597  \n",
       "WTPT-4             0.025641     0.261582   0.197127  0.341464  0.296443  \n",
       "CrippenLogP        0.088519    -0.206687  -0.200469  0.080985 -0.227113  \n",
       "nsOH              -0.177305    -0.203483   0.169133  1.000000 -0.233955  \n",
       "XLogP             -0.035078    -0.538203  -0.185567 -0.009919 -0.211810  \n",
       "VCH-5              1.000000     0.195552  -0.177931 -0.177305  0.088705  \n",
       "ETA_BetaP_s        0.195552     1.000000   0.054857 -0.203483  0.078905  \n",
       "minHBint6         -0.177931     0.054857   1.000000  0.169133  0.206758  \n",
       "nHsOH             -0.177305    -0.203483   0.169133  1.000000 -0.233955  \n",
       "mindO              0.088705     0.078905   0.206758 -0.233955  1.000000  \n",
       "\n",
       "[56 rows x 56 columns]"
      ]
     },
     "execution_count": 231,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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KjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAo8QIADBKjAAAoxaKkaq6rqoeq6pTVXXHDo9XVX168/FHq+otyx8VAFhFu8ZIVR1IcmeSo0mOJLmpqo5sW3Y0yZWbt2NJPrfkOQGAFbXImZFrkpzq7se7+7kkdye5YduaG5J8sTc8lOQVVfXaJc8KAKygRWLkcJIntxyf3rzvXNcAAPyGgwusqR3u6/NYk6o6lo0f4yTJ/1bV9xb4/Fw4lyZ5ZnoIfs1+XHzsycXFflxc3ni+77hIjJxOcvmW48uSPHUea9LdJ5KcSJKqWu/utXOalj1lTy4u9uPiY08uLvbj4lJV6+f7vov8mObhJFdW1RVVdUmSG5Pcu23NvUlu3vytmnck+Xl3//h8hwIA9o9dz4x099mqui3J/UkOJLmru09W1a2bjx9Pcl+S65OcSvKLJLfs3cgAwCpZ5Mc06e77shEcW+87vuXtTvLhc/zcJ85xPXvPnlxc7MfFx55cXOzHxeW896M2OgIAYIbLwQMAo/Y8RlxK/uKywH58YHMfHq2qB6vq6ok595Pd9mTLurdV1S+r6n0Xcr79ZpH9qKprq+rbVXWyqr51oWfcbxb4d+vlVfW1qvrO5p543eIeqqq7qurp57s8x3k9r3f3nt2y8YLX/0zyB0kuSfKdJEe2rbk+ydezca2SdyT5972caT/fFtyPP07yys23j9qP+T3Zsu5fsvHarfdNz72qtwW/R16R5PtJXrd5/OrpuVf5tuCe/G2ST26+fSjJT5NcMj37qt6S/GmStyT53vM8fs7P63t9ZsSl5C8uu+5Hdz/Y3T/bPHwoG9eMYe8s8j2SJB9J8uUkT1/I4fahRfbj/Unu6e4nkqS77cneWmRPOsnLqqqSvDQbMXL2wo65f3T3A9n4Gj+fc35e3+sYcSn5i8u5fq0/lI26Ze/suidVdTjJe5McD3ttke+RNyR5ZVV9s6oeqaqbL9h0+9Mie/KZJG/KxsU2v5vko939qwszHjs45+f1hX6197ewtEvJsxQLf62r6l3ZiJE/2dOJWGRPPpXk9u7+5cZ//NhDi+zHwSRvTfLuJL+b5N+q6qHu/uFeD7dPLbIn70ny7SR/nuQPk/xzVf1rd//PHs/Gzs75eX2vY2Rpl5JnKRb6WlfVm5N8PsnR7v7JBZptv1pkT9aS3L0ZIpcmub6qznb3Vy7IhPvLov9mPdPdzyZ5tqoeSHJ1EjGyNxbZk1uS/H1vvGDhVFX9KMlVSf7jwozINuf8vL7XP6ZxKfmLy677UVWvS3JPkg/6n94FseuedPcV3f367n59kn9M8jdCZM8s8m/WV5O8s6oOVtWLk7w9yQ8u8Jz7ySJ78kQ2zlSlql6TjT/Y9vgFnZKtzvl5fU/PjLRLyV9UFtyPjyV5VZLPbv5P/Gz7Q1R7ZsE94QJZZD+6+wdV9Y0kjyb5VZLPd7e/QL5HFvwe+USSL1TVd7PxI4Lbu9tf890jVfWlJNcmubSqTif5eJIXJef/vO4KrADAKFdgBQBGiREAYJQYAQBGiREAYJQYAQBGiREAYJQYAQBGiREAYNT/AZz3dWuUuUG1AAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<Figure size 648x648 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "#然后通过相关分析提出自相关的变量\n",
    "cor=feature_train[choose_feature].corr()\n",
    "f , ax = plt.subplots(figsize = (9,9))\n",
    "\n",
    "\n",
    "cor"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 232,
   "id": "93434e53",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(1974, 21)"
      ]
     },
     "execution_count": 232,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "for i in range(55):\n",
    "    for  j in range(55):\n",
    "        if i !=j:\n",
    "            if cor.iloc[i,j]>0.5 and cor.index[i] in choose_feature and cor.columns[j] in choose_feature:\n",
    "                if len(choose_feature)==20:\n",
    "                    break;\n",
    "                choose_feature.remove(cor.columns[j])\n",
    "                \n",
    "                \n",
    "                \n",
    "                \n",
    "choose_feature     \n",
    "final_feature_train=feature_train[choose_feature]\n",
    "final_feature_train.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 237,
   "id": "bb2758ee",
   "metadata": {},
   "outputs": [],
   "source": [
    "final_feature_train.to_csv('final.csv') "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 233,
   "id": "101bda2e",
   "metadata": {},
   "outputs": [],
   "source": [
    "from sklearn.model_selection import cross_val_score\n",
    "from sklearn.metrics import mean_squared_error,make_scorer,mean_absolute_error\n",
    "from sklearn.linear_model import LinearRegression\n",
    "from sklearn.tree import DecisionTreeRegressor\n",
    "from sklearn.ensemble import RandomForestRegressor\n",
    "from sklearn.ensemble import GradientBoostingRegressor\n",
    "from sklearn.neural_network import MLPRegressor\n",
    "from xgboost.sklearn import XGBRegressor \n",
    "from lightgbm.sklearn import LGBMRegressor"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 234,
   "id": "07923e6e",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "LinearRegression is finished\n",
      "DecisionTreeRegressor is finished\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\model_selection\\_validation.py:598: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
      "  estimator.fit(X_train, y_train, **fit_params)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\model_selection\\_validation.py:598: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
      "  estimator.fit(X_train, y_train, **fit_params)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\model_selection\\_validation.py:598: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
      "  estimator.fit(X_train, y_train, **fit_params)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\model_selection\\_validation.py:598: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
      "  estimator.fit(X_train, y_train, **fit_params)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\model_selection\\_validation.py:598: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
      "  estimator.fit(X_train, y_train, **fit_params)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "RandomForestRegressor is finished\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "GradientBoostingRegressor is finished\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\neural_network\\_multilayer_perceptron.py:500: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
      "\n",
      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
      "  self.n_iter_ = _check_optimize_result(\"lbfgs\", opt_res, self.max_iter)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\neural_network\\_multilayer_perceptron.py:500: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
      "\n",
      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
      "  self.n_iter_ = _check_optimize_result(\"lbfgs\", opt_res, self.max_iter)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\neural_network\\_multilayer_perceptron.py:500: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
      "\n",
      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
      "  self.n_iter_ = _check_optimize_result(\"lbfgs\", opt_res, self.max_iter)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\neural_network\\_multilayer_perceptron.py:500: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
      "\n",
      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
      "  self.n_iter_ = _check_optimize_result(\"lbfgs\", opt_res, self.max_iter)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\utils\\validation.py:63: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples, ), for example using ravel().\n",
      "  return f(*args, **kwargs)\n",
      "d:\\download\\minconda\\envs\\d2l-zh\\lib\\site-packages\\sklearn\\neural_network\\_multilayer_perceptron.py:500: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
      "\n",
      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
      "  self.n_iter_ = _check_optimize_result(\"lbfgs\", opt_res, self.max_iter)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "MLPRegressor is finished\n",
      "[19:30:56] WARNING: ..\\src\\learner.cc:541: \n",
      "Parameters: { n_estimator } might not be used.\n",
      "\n",
      "  This may not be accurate due to some parameters are only used in language bindings but\n",
      "  passed down to XGBoost core.  Or some parameters are not used but slip through this\n",
      "  verification. Please open an issue if you find above cases.\n",
      "\n",
      "\n",
      "[19:30:56] WARNING: ..\\src\\learner.cc:541: \n",
      "Parameters: { n_estimator } might not be used.\n",
      "\n",
      "  This may not be accurate due to some parameters are only used in language bindings but\n",
      "  passed down to XGBoost core.  Or some parameters are not used but slip through this\n",
      "  verification. Please open an issue if you find above cases.\n",
      "\n",
      "\n",
      "[19:30:57] WARNING: ..\\src\\learner.cc:541: \n",
      "Parameters: { n_estimator } might not be used.\n",
      "\n",
      "  This may not be accurate due to some parameters are only used in language bindings but\n",
      "  passed down to XGBoost core.  Or some parameters are not used but slip through this\n",
      "  verification. Please open an issue if you find above cases.\n",
      "\n",
      "\n",
      "[19:30:57] WARNING: ..\\src\\learner.cc:541: \n",
      "Parameters: { n_estimator } might not be used.\n",
      "\n",
      "  This may not be accurate due to some parameters are only used in language bindings but\n",
      "  passed down to XGBoost core.  Or some parameters are not used but slip through this\n",
      "  verification. Please open an issue if you find above cases.\n",
      "\n",
      "\n",
      "[19:30:57] WARNING: ..\\src\\learner.cc:541: \n",
      "Parameters: { n_estimator } might not be used.\n",
      "\n",
      "  This may not be accurate due to some parameters are only used in language bindings but\n",
      "  passed down to XGBoost core.  Or some parameters are not used but slip through this\n",
      "  verification. Please open an issue if you find above cases.\n",
      "\n",
      "\n",
      "XGBRegressor is finished\n",
      "[LightGBM] [Warning] Unknown parameter: n_estimator\n",
      "[LightGBM] [Warning] Unknown parameter: n_estimator\n",
      "[LightGBM] [Warning] Unknown parameter: n_estimator\n",
      "[LightGBM] [Warning] Unknown parameter: n_estimator\n",
      "[LightGBM] [Warning] Unknown parameter: n_estimator\n",
      "LGBMRegressor is finished\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>LinearRegression</th>\n",
       "      <th>DecisionTreeRegressor</th>\n",
       "      <th>RandomForestRegressor</th>\n",
       "      <th>GradientBoostingRegressor</th>\n",
       "      <th>MLPRegressor</th>\n",
       "      <th>XGBRegressor</th>\n",
       "      <th>LGBMRegressor</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>cv1</th>\n",
       "      <td>0.847049</td>\n",
       "      <td>1.917903</td>\n",
       "      <td>0.718402</td>\n",
       "      <td>0.706266</td>\n",
       "      <td>0.670726</td>\n",
       "      <td>0.983154</td>\n",
       "      <td>0.887868</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>cv2</th>\n",
       "      <td>0.719566</td>\n",
       "      <td>2.064269</td>\n",
       "      <td>0.627625</td>\n",
       "      <td>0.632428</td>\n",
       "      <td>0.837934</td>\n",
       "      <td>0.586317</td>\n",
       "      <td>0.649590</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>cv3</th>\n",
       "      <td>0.899025</td>\n",
       "      <td>1.292795</td>\n",
       "      <td>0.781737</td>\n",
       "      <td>0.779887</td>\n",
       "      <td>0.874925</td>\n",
       "      <td>0.999408</td>\n",
       "      <td>0.879154</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>cv4</th>\n",
       "      <td>2.093724</td>\n",
       "      <td>2.352413</td>\n",
       "      <td>1.116827</td>\n",
       "      <td>1.076843</td>\n",
       "      <td>1.366192</td>\n",
       "      <td>1.070108</td>\n",
       "      <td>1.108118</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>cv5</th>\n",
       "      <td>1.389543</td>\n",
       "      <td>2.381274</td>\n",
       "      <td>1.491859</td>\n",
       "      <td>1.508647</td>\n",
       "      <td>1.533531</td>\n",
       "      <td>1.566166</td>\n",
       "      <td>1.462994</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "     LinearRegression  DecisionTreeRegressor  RandomForestRegressor  \\\n",
       "cv1          0.847049               1.917903               0.718402   \n",
       "cv2          0.719566               2.064269               0.627625   \n",
       "cv3          0.899025               1.292795               0.781737   \n",
       "cv4          2.093724               2.352413               1.116827   \n",
       "cv5          1.389543               2.381274               1.491859   \n",
       "\n",
       "     GradientBoostingRegressor  MLPRegressor  XGBRegressor  LGBMRegressor  \n",
       "cv1                   0.706266      0.670726      0.983154       0.887868  \n",
       "cv2                   0.632428      0.837934      0.586317       0.649590  \n",
       "cv3                   0.779887      0.874925      0.999408       0.879154  \n",
       "cv4                   1.076843      1.366192      1.070108       1.108118  \n",
       "cv5                   1.508647      1.533531      1.566166       1.462994  "
      ]
     },
     "execution_count": 234,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "models=[LinearRegression(),DecisionTreeRegressor(),RandomForestRegressor(),\n",
    "       GradientBoostingRegressor(),\n",
    "       MLPRegressor(hidden_layer_sizes=(50),solver='lbfgs',max_iter=100),\n",
    "        XGBRegressor(n_estimator=100,objective='reg:squarederror'),\n",
    "        LGBMRegressor(n_estimator=100)\n",
    "       ]\n",
    "\n",
    "result=dict()\n",
    "for model in models:\n",
    "    model_name = str(model).split('(')[0]\n",
    "    scores = cross_val_score(model, X=final_feature_train, y=label_train, verbose=0, cv = 5,scoring=make_scorer(mean_squared_error))\n",
    "    result[model_name] = scores\n",
    "    print(model_name + ' is finished')\n",
    "#表格表示\n",
    "result = pd.DataFrame(result)\n",
    "result.index = ['cv' + str(x) for x in range(1, 6)]\n",
    "result"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 235,
   "id": "6f5b9fa1",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "LinearRegression             1.189781\n",
       "DecisionTreeRegressor        2.001731\n",
       "RandomForestRegressor        0.947290\n",
       "GradientBoostingRegressor    0.940814\n",
       "MLPRegressor                 1.056662\n",
       "XGBRegressor                 1.041030\n",
       "LGBMRegressor                0.997545\n",
       "dtype: float64"
      ]
     },
     "execution_count": 235,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "result.mean()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 222,
   "id": "ab491c21",
   "metadata": {},
   "outputs": [],
   "source": [
    "feature_test=pd.read_csv('Molecular_Descriptor_test.csv',index_col='SMILES')\n",
    "label_test=pd.read_csv('ERα_activity_test.csv',index_col='SMILES')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "4cf62651",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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